data_2kjc_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 2kjc _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.844 0.354 . . . . 2.66 110.626 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -63.29 -43.09 98.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 2.81 110.618 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.907 ' O ' HG22 ' A' ' 16' ' ' VAL . 1.3 p -63.15 -51.24 67.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 2.55 110.579 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 tp -52.27 -34.52 46.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 2.48 110.594 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.95 -39.72 69.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 2.92 110.607 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.459 ' C ' ' N ' ' A' ' 17' ' ' THR . 1.7 ttm180 -68.27 -49.69 58.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 3.81 110.593 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 12' ' ' THR . 2.6 t -47.14 -16.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 1.98 110.574 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.459 ' N ' ' C ' ' A' ' 15' ' ' ARG . 96.1 m -91.34 -36.8 13.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 2.07 110.604 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.76 -27.76 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 2.79 110.575 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.46 HD12 HG22 ' A' ' 19' ' ' ILE . 3.2 mt -56.35 -64.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 2.19 110.61 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.632 ' O ' ' N ' ' A' ' 23' ' ' LEU . 89.2 m-85 -50.61 -64.26 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 2.51 110.622 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.559 ' C ' ' H ' ' A' ' 23' ' ' LEU . 12.8 tttt -37.45 -46.04 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 3.53 110.607 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.5 -3.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 1.52 110.619 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.676 ' O ' ' O ' ' A' ' 24' ' ' GLY . 30.8 mt -110.42 -8.19 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 2.27 110.558 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.676 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -33.86 -107.66 0.0 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.922 -0.871 . . . . 2.15 110.922 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.644 ' C ' ' O ' ' A' ' 24' ' ' GLY . 23.8 m-20 -16.3 123.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 2.34 110.606 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' ILE . 3.7 p90 -74.36 -34.88 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 4.73 110.591 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.665 ' OD1' HD21 ' A' ' 49' ' ' LEU . 56.2 t-20 -41.69 -39.3 1.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 3.01 110.61 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.791 ' HD3' HD22 ' A' ' 63' ' ' LEU . 9.8 ttm180 -74.84 -35.91 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 4.84 110.649 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' TYR . 5.1 mm -50.33 -43.5 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 2.36 110.579 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 1.1 HH21 HD13 ' A' ' 49' ' ' LEU . 8.3 ttp180 -63.66 -48.01 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 3.95 110.624 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.3 mt -53.96 -35.86 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 1.77 110.587 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -36.77 83.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 2.94 110.601 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -64.73 -35.68 81.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 2.22 110.617 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.961 HD13 ' C ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -64.56 -55.69 18.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 2.49 110.583 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.55 -35.0 67.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 2.37 110.597 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.4 t -54.69 -50.65 67.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 2.06 110.617 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.09 -41.25 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 1.99 110.625 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.25 134.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 2.08 110.62 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' H ' ' HG2' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -45.65 169.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 2.53 110.554 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -159.79 151.26 19.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 1.45 110.604 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -86.58 172.61 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 1.73 110.58 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.3 -65.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 2.21 110.614 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.24 -31.19 62.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.848 -0.901 . . . . 0.97 110.848 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -61.46 -43.32 99.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.348 . . . . 3.58 110.59 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.598 ' O ' HG21 ' A' ' 45' ' ' ILE . 14.3 mt -62.81 -32.14 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 2.48 110.604 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 1.167 ' O ' ' CA ' ' A' ' 50' ' ' ASN . 17.5 t -39.14 -36.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 2.12 110.641 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 48' ' ' GLN . 1.0 OUTLIER -58.69 -61.58 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 4.51 110.628 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.581 ' NE2' ' CD2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -36.19 -72.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 3.08 110.645 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 1.1 HD13 HH21 ' A' ' 30' ' ' ARG . 0.8 OUTLIER -105.0 -17.81 14.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 3.18 110.61 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 1.167 ' CA ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER 47.46 169.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 5.98 110.554 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 1.064 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 1.2 mp 136.87 -117.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 3.61 110.606 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.451 ' H ' ' HB3' ' A' ' 51' ' ' LEU . 39.5 t -121.38 125.72 47.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 2.23 110.561 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.402 ' H ' ' HG3' ' A' ' 53' ' ' GLN . 3.6 mt-30 -54.2 -35.62 62.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 3.11 110.618 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.66 -27.33 62.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 2.29 110.571 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -74.14 -41.7 61.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 2.78 110.65 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.54 -46.22 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 2.43 110.652 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.8 p -53.8 -46.65 71.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 2.01 110.559 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.32 -48.58 73.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 3.24 110.568 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.709 ' O ' ' N ' ' A' ' 62' ' ' LEU . 1.1 tt0 -60.98 -69.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 3.03 110.641 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.816 ' CD2' ' CE2' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -35.85 -29.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 2.3 110.596 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 59' ' ' GLN . 22.3 tttp -72.0 -30.83 65.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 3.35 110.615 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.709 ' N ' ' O ' ' A' ' 59' ' ' GLN . 1.1 tp -73.02 -47.06 48.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 2.83 110.584 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.791 HD22 ' HD3' ' A' ' 28' ' ' ARG . 7.9 mt -63.56 -24.54 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 2.01 110.587 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -70.75 -23.93 62.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 2.79 110.631 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.8 t -78.63 -25.86 45.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 2.37 110.639 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.63 ' O ' ' HB2' ' A' ' 67' ' ' HIS . 3.7 t -83.12 -17.95 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 2.17 110.567 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.63 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER 80.83 25.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 4.33 110.619 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.77 -26.46 17.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 2.36 110.608 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.68 HG22 ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -121.51 165.31 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 2.3 110.608 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.2 130.43 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 3.28 110.611 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.31 148.17 30.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 1.66 110.569 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -133.06 159.0 41.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 4.29 110.619 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -98.42 135.87 39.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 4.58 110.62 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -149.09 86.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 2.68 110.591 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.93 -108.03 2.94 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.848 -0.901 . . . . 1.97 110.848 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -125.76 11.05 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 4.67 110.613 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -130.04 131.49 45.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 2.08 110.614 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.463 ' H ' ' HG3' ' A' ' 78' ' ' MET . 0.0 OUTLIER -87.6 117.02 26.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 3.61 110.598 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -100.52 142.1 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 2.3 110.623 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.816 ' CE2' ' CD2' ' A' ' 60' ' ' LEU . 24.9 m-85 -106.69 -173.98 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 3.8 110.611 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.723 ' HB3' ' O ' ' A' ' 80' ' ' TYR . 0.3 OUTLIER 160.4 160.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 1.79 110.599 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 82' ' ' LEU . 1.7 mt -54.33 170.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 2.51 110.619 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.658 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 41.1 t0 -89.03 -48.52 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 3.02 110.61 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.658 ' OD1' ' O ' ' A' ' 83' ' ' ASP . 75.0 m-20 -148.94 -151.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 2.43 110.568 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.476 ' H ' ' HB3' ' A' ' 84' ' ' ASP . 1.5 pt -103.39 8.74 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 2.82 110.595 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -83.19 -39.54 20.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.55 110.607 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -41.5 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 2.33 110.578 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.34 -58.53 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 1.49 110.573 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.528 ' OG1' ' OE1' ' B' ' 93' ' ' GLN . 3.6 p -54.63 -56.02 23.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 2.29 110.628 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' THR . 0.8 OUTLIER -38.43 -59.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 2.85 110.651 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.735 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 7.0 tp -48.75 -49.07 40.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 2.48 110.626 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.662 ' O ' ' N ' ' A' ' 94' ' ' ALA . 15.2 mttm -59.78 -76.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 3.59 110.63 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.497 ' C ' ' O ' ' A' ' 92' ' ' LYS . 0.6 OUTLIER -31.59 -29.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 3.0 110.6 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -63.0 -57.78 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 1.29 110.572 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.456 HD11 HG11 ' B' ' 16' ' ' VAL . 2.4 mm -64.3 -23.72 34.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 2.26 110.569 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -70.41 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 3.52 110.624 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -49.47 -42.37 42.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.619 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.85 -46.91 86.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 1.59 110.586 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 3.18 110.628 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 78.1 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.759 0.314 . . . . 2.98 110.574 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -55.22 37.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 2.64 110.615 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.656 ' O ' HG23 ' B' ' 16' ' ' VAL . 80.6 p -58.3 -51.18 70.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 2.68 110.603 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' B' ' 13' ' ' LEU . 1.0 OUTLIER -45.72 -48.06 15.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 2.46 110.608 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.59 ' O ' ' OG1' ' B' ' 17' ' ' THR . 9.0 tt0 -57.6 -39.34 76.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 2.63 110.593 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.938 ' O ' ' N ' ' B' ' 17' ' ' THR . 4.0 mtm-85 -64.78 -73.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 4.59 110.594 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 12' ' ' THR . 0.1 OUTLIER -24.84 -25.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 2.25 110.566 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.938 ' N ' ' O ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -82.01 -40.36 22.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 2.04 110.595 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.77 ' N ' ' O ' ' B' ' 15' ' ' ARG . 1.5 tt0 -63.93 -26.76 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 2.73 110.572 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.666 ' O ' ' HB2' ' B' ' 22' ' ' ALA . 1.5 mt -59.47 -64.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 2.36 110.618 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.649 ' O ' ' N ' ' B' ' 22' ' ' ALA . 74.0 m-85 -49.75 -74.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 2.35 110.586 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -35.53 -23.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 3.3 110.633 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' B' ' 19' ' ' ILE . . . -71.12 -3.86 22.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 1.48 110.574 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.935 ' O ' ' O ' ' B' ' 24' ' ' GLY . 6.2 mt -114.26 -10.29 12.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 2.37 110.601 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.935 ' O ' ' O ' ' B' ' 23' ' ' LEU . . . -18.88 -122.23 0.0 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.883 -0.887 . . . . 1.89 110.883 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.782 ' O ' ' O ' ' B' ' 24' ' ' GLY . 70.4 m-20 -12.76 139.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 2.16 110.629 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.951 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 0.0 OUTLIER -81.86 -26.33 34.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 4.62 110.623 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.693 ' H ' ' HD1' ' B' ' 26' ' ' TYR . 11.9 t30 -46.49 -40.55 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 2.96 110.588 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -73.78 -45.07 53.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 3.69 110.596 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.517 HD13 HG21 ' B' ' 29' ' ' ILE . 6.2 mt -46.51 -33.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 1.98 110.638 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.67 -45.29 53.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 3.59 110.607 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 84.1 mt -55.53 -36.86 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 1.66 110.585 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' MET . . . . . 0.841 ' HE3' HD23 ' B' ' 68' ' ' LEU . 0.0 OUTLIER -67.94 -44.07 77.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 2.97 110.635 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.625 ' O ' HG22 ' B' ' 37' ' ' VAL . 11.6 tt0 -59.15 -28.27 66.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 2.11 110.625 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.959 ' O ' HD12 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -74.6 -39.33 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 2.54 110.588 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 63.6 mt -71.26 -35.78 71.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 2.04 110.637 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.414 ' HA ' HD13 ' B' ' 82' ' ' LEU . 0.2 OUTLIER -57.59 -47.42 82.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 2.26 110.592 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.625 HG22 ' O ' ' B' ' 33' ' ' GLU . 7.0 t -64.54 -42.35 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 2.15 110.585 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.9 t -171.18 138.99 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 1.83 110.606 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.441 ' H ' ' HG2' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -55.5 165.53 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 2.48 110.631 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.83 152.13 22.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 1.5 110.598 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.03 -176.29 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 2.08 110.63 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 t -68.43 -55.25 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 2.05 110.602 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.518 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -63.49 -38.93 97.08 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -54.14 -42.11 69.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 3.94 110.599 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.585 ' O ' ' N ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -59.27 -36.1 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 2.67 110.586 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.763 ' O ' ' HA ' ' B' ' 50' ' ' ASN . 73.0 p -40.69 -34.79 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 1.97 110.612 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -30.03 70.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 4.3 110.638 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 1.027 ' HA ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -64.87 -77.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 3.52 110.601 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' B' ' 50' ' ' ASN . 13.9 mt -92.84 -21.7 19.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 3.07 110.612 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 1.04 ' O ' ' HG ' ' B' ' 51' ' ' LEU . 27.7 t-20 54.8 130.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 5.2 110.633 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 1.04 ' HG ' ' O ' ' B' ' 50' ' ' ASN . 1.5 mt 166.24 -130.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 3.41 110.604 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' B' ' 55' ' ' ASN . 0.4 OUTLIER -106.46 120.41 41.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 2.45 110.58 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.523 ' H ' ' HG3' ' B' ' 53' ' ' GLN . 10.3 mt-30 -47.06 -42.1 18.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 3.11 110.622 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' B' ' 58' ' ' HIS . 7.2 p -53.4 -29.27 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 1.92 110.597 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' B' ' 52' ' ' SER . 0.9 OUTLIER -68.96 -46.75 67.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 3.05 110.589 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 37.8 t -67.73 -50.77 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 1.88 110.562 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -27.6 39.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 1.84 110.606 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' B' ' 54' ' ' SER . 3.4 t-80 -73.32 -54.07 9.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 3.98 110.624 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' B' ' 62' ' ' LEU . 1.0 OUTLIER -63.38 -54.27 39.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 2.65 110.603 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.721 ' CD2' ' CE2' ' B' ' 80' ' ' TYR . 11.9 tp -43.81 -21.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 2.33 110.612 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' B' ' 59' ' ' GLN . 13.7 ttmt -78.6 -35.66 45.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 3.15 110.569 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' B' ' 59' ' ' GLN . 17.1 mt -65.05 -46.82 79.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 2.61 110.633 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.87 -19.21 63.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 2.33 110.591 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -79.05 -21.32 47.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 2.99 110.577 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.0 t -73.94 -26.63 60.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 2.0 110.592 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.902 ' O ' ' HB2' ' B' ' 67' ' ' HIS . 2.0 t -85.96 -24.76 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 2.26 110.585 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.902 ' HB2' ' O ' ' B' ' 66' ' ' VAL . 44.7 m80 92.61 6.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 4.25 110.569 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.841 HD23 ' HE3' ' B' ' 32' ' ' MET . 0.1 OUTLIER -66.5 -34.93 79.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 2.43 110.601 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.95 168.33 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 2.24 110.597 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -146.84 148.32 31.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 3.33 110.573 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.3 153.75 30.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.49 110.566 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -136.62 169.14 18.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 3.59 110.626 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -112.44 135.18 53.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 4.7 110.627 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.14 82.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 2.67 110.645 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.28 -86.75 1.49 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.87 -0.892 . . . . 2.09 110.87 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -148.34 10.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 3.58 110.648 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.17 126.42 50.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 2.19 110.624 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -82.66 107.81 15.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 3.26 110.622 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.63 143.01 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 2.42 110.594 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.721 ' CE2' ' CD2' ' B' ' 60' ' ' LEU . 25.5 m-85 -113.71 153.97 28.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 3.17 110.57 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.88 172.75 15.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 1.83 110.576 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 36' ' ' SER . 15.8 mt -65.44 172.6 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 2.4 110.603 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.21 -42.56 13.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 3.48 110.617 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -162.93 -146.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 3.06 110.592 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.35 15.74 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 2.67 110.599 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -91.43 -43.67 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 2.47 110.561 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.411 HG22 ' H ' ' B' ' 87' ' ' VAL . 0.0 OUTLIER -64.21 -44.64 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 2.32 110.586 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.47 -54.45 26.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 1.48 110.588 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -54.94 41.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 2.05 110.612 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.3 ttt -42.42 -59.15 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 2.44 110.616 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . 0.401 ' O ' ' HB1' ' B' ' 94' ' ' ALA . 5.2 tp -50.5 -44.98 56.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 2.23 110.594 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.53 ' HZ2' ' HG2' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -61.78 -73.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 3.33 110.632 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.528 ' OE1' ' OG1' ' A' ' 89' ' ' THR . 0.4 OUTLIER -33.67 -46.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 3.21 110.609 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' B' ' 91' ' ' LEU . . . -46.86 -64.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 1.3 110.62 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.837 ' O ' HG21 ' B' ' 95' ' ' ILE . 0.9 OUTLIER -62.12 -12.91 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 2.17 110.616 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.97 -46.93 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 3.26 110.608 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -72.37 -44.16 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 1.01 110.627 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.64 -43.87 72.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 1.44 110.595 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 37.9 t30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 3.81 110.58 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.2 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.887 0.375 . . . . 1.0 110.581 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.0 -54.22 7.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.464 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -60.69 -23.25 64.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.516 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.4 -65.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.505 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.428 ' O ' ' OE1' ' A' ' 18' ' ' GLU . 40.1 mm-40 -51.08 -26.77 6.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.389 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -63.49 -33.12 74.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 1.0 110.36 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.0 t -51.31 -27.3 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.401 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.581 ' HG1' ' N ' ' A' ' 18' ' ' GLU . 43.7 p -73.8 -63.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.363 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.581 ' N ' ' HG1' ' A' ' 17' ' ' THR . 2.2 mp0 -37.54 -25.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.616 -177.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' THR . 58.2 mt -57.9 -49.18 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.395 -0.522 . . . . 1.0 110.358 179.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -68.9 -56.69 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.991 0.424 . . . . 1.0 110.746 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -50.41 -36.48 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.521 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.88 17.0 20.58 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.616 -0.265 . . . . 1.0 111.622 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.7 -48.44 21.94 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.479 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.98 151.88 5.83 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -82.15 178.31 8.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 1.0 110.629 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -41.41 -67.97 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.974 -0.557 . . . . 1.0 111.534 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -49.6 -26.68 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.398 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.413 ' NH2' ' CD ' ' A' ' 59' ' ' GLN . 20.5 mmt180 -75.66 -21.24 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.809 -0.356 . . . . 1.0 110.771 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.2 mm -71.55 -36.19 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.376 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.6 ttt85 -64.96 -29.6 70.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.344 . . . . 1.0 110.394 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.4 mt -78.59 -41.73 25.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.493 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.4 ttt -52.25 -32.47 37.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.355 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.429 ' O ' ' OG ' ' A' ' 36' ' ' SER . 42.5 mt-10 -71.26 -38.56 71.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.29 178.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -62.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.0 mt -46.5 -32.5 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.727 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 33' ' ' GLU . 8.6 p -60.37 -33.37 72.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 1.0 110.352 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.8 t -77.71 -38.86 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.776 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -173.49 153.57 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.0 111.037 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.27 164.7 26.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.596 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.4 158.95 36.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.912 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.558 ' HG ' ' CG ' ' A' ' 44' ' ' HIS . 93.3 p -88.41 166.71 14.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.529 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.419 ' O ' ' OG ' ' A' ' 46' ' ' SER . 35.7 t -56.3 -55.05 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.977 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.73 -35.03 91.49 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.381 -0.688 . . . . 1.0 111.381 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.558 ' CG ' ' HG ' ' A' ' 41' ' ' SER . 12.2 m170 -73.12 -39.25 65.91 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.69 0.256 . . . . 1.0 111.69 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.85 -13.74 12.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.757 0.313 . . . . 1.0 110.757 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 42' ' ' VAL . 50.3 m -54.48 -37.73 65.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.9 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.31 -12.59 61.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.888 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -60.62 -57.47 12.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.334 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tt -173.53 56.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 52' ' ' SER . 7.6 m120 -156.25 -13.85 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.433 -0.348 . . . . 1.0 110.938 -178.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 3.0 mm? 41.93 -89.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.849 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 50' ' ' ASN . 90.1 p -55.04 132.77 47.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.404 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -63.28 -47.29 82.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.113 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 p -45.11 -27.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.386 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.408 ' OD1' ' OG ' ' A' ' 52' ' ' SER . 5.0 m-20 -68.28 -43.45 77.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.425 -177.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.4 t -74.59 -38.94 46.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.981 -0.288 . . . . 1.0 111.16 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.9 t -59.15 -60.82 3.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.759 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -53.82 -41.31 67.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.901 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.413 ' CD ' ' NH2' ' A' ' 28' ' ' ARG . 38.1 tp60 -67.13 -54.55 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.289 -178.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.5 tp -52.11 -27.09 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.878 -177.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -68.41 -39.67 81.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.613 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.27 -35.65 79.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.63 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.2 mt -74.1 -32.74 63.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -64.98 -21.44 66.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.849 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.456 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 30.8 p -60.42 -60.93 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.767 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.45 ' N ' ' OG ' ' A' ' 65' ' ' SER . 3.3 p -69.27 -1.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.647 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 65' ' ' SER . 6.6 m170 66.55 23.26 10.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.782 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 tp -73.38 -13.51 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.856 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.7 t -135.33 155.42 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.927 -0.578 . . . . 1.0 110.179 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' A' ' 70' ' ' LYS . 9.2 mtmp? -124.88 172.82 9.06 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.184 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.69 153.16 26.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.506 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.7 pttt -149.12 161.53 41.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.317 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -93.44 135.71 34.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.3 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -153.08 112.98 3.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.489 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.65 58.6 8.95 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.21 -0.756 . . . . 1.0 111.21 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 54.45 12.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.554 0.216 . . . . 1.0 111.285 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.5 t -123.4 133.58 54.07 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.865 0.364 . . . . 1.0 110.418 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.562 ' N ' ' SD ' ' A' ' 78' ' ' MET . 1.9 mpt? -93.25 99.15 11.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.82 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.7 mt -101.57 148.68 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.45 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.487 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 8.6 p90 -146.35 -177.42 5.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.008 0.433 . . . . 1.0 110.899 -178.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.7 p -172.25 -159.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.369 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 83' ' ' ASP . 17.7 mt -86.63 168.13 13.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.81 0.338 . . . . 1.0 110.303 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 26.0 t0 -60.98 -123.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.232 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.488 ' H ' ' CG ' ' A' ' 83' ' ' ASP . 2.8 m-20 -86.82 -145.96 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.795 0.331 . . . . 1.0 110.632 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 pt -94.68 6.54 7.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.436 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.437 ' C ' ' N ' ' A' ' 88' ' ' ALA . 20.9 m170 -71.86 -83.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.971 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.4 m -45.98 -18.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.615 -0.266 . . . . 1.0 110.849 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.437 ' N ' ' C ' ' A' ' 86' ' ' HIS . . . -69.32 -62.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.932 0.396 . . . . 1.0 110.715 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.8 m -58.11 -48.77 79.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.515 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' A' ' 90' ' ' MET . 0.0 OUTLIER -53.07 -26.93 17.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.333 179.514 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.4 tt -59.24 -59.18 5.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.108 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.514 ' HZ2' ' CB ' ' A' ' 92' ' ' LYS . 9.4 mtmp? -63.69 -55.51 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.928 -179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -49.59 -29.73 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.324 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.85 -63.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 1.0 110.73 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.4 tt -59.29 -12.53 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.576 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -80.0 -50.3 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.453 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -62.56 -13.1 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.465 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.43 ' O ' ' OD1' ' A' ' 99' ' ' ASN . . . -75.13 -22.63 58.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.674 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 98' ' ' ALA . 35.8 m-20 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.098 -0.501 . . . . 1.0 109.922 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 120.934 0.397 . . . . 1.0 110.484 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -37.8 -34.59 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.677 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 16.8 p -53.81 -67.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.62 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.479 ' CD1' ' N ' ' B' ' 13' ' ' LEU . 8.8 mp -67.07 -53.6 29.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.427 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -41.31 -26.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.425 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' B' ' 13' ' ' LEU . 47.9 ttt85 -80.73 -39.96 26.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 1.0 110.454 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' B' ' 13' ' ' LEU . 43.9 t -59.07 -37.51 68.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.572 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.8 p -76.17 -25.14 54.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.434 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -68.81 -17.52 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.314 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 82.5 mt -68.45 -58.03 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.94 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -59.48 -66.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.158 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -45.19 -34.25 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.523 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.428 ' O ' ' NH2' ' B' ' 28' ' ' ARG . . . -63.27 -22.23 66.74 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.088 -0.245 . . . . 1.0 111.188 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 37.3 mt -72.98 2.95 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.285 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.82 -155.99 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 51.39 93.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 1.0 110.489 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -50.24 -63.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.992 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.61 -33.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.552 -177.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.428 ' NH2' ' O ' ' B' ' 22' ' ' ALA . 40.4 ttp180 -71.21 -40.99 70.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.337 . . . . 1.0 110.937 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.58 -27.55 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.558 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 mmm-85 -64.36 -27.85 69.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.53 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.497 ' CD1' ' N ' ' B' ' 31' ' ' ILE . 1.7 mp -73.99 -27.27 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 177.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 12.8 tpt -69.68 -48.6 59.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.633 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.415 ' O ' ' OG ' ' B' ' 36' ' ' SER . 9.1 tm-20 -54.15 -31.58 52.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.519 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.487 ' C ' ' H ' ' B' ' 36' ' ' SER . 0.9 OUTLIER -67.23 -61.75 1.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.347 -179.586 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 39.1 mt -56.89 -5.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.004 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.487 ' H ' ' C ' ' B' ' 34' ' ' LEU . 9.9 p -81.55 -50.85 8.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.748 0.309 . . . . 1.0 110.632 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 6.5 p -76.3 -29.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.669 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.3 p -178.7 145.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.42 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -57.0 169.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.512 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.37 151.84 25.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.73 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.473 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 26.1 p -90.23 164.16 14.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.42 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -53.45 -57.66 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.001 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.23 -45.58 93.93 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.302 -0.719 . . . . 1.0 111.302 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.473 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 2.6 m-70 -50.98 -40.2 57.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.713 0.292 . . . . 1.0 111.071 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.516 ' C ' ' H ' ' B' ' 47' ' ' HIS . 85.8 mt -69.62 -35.59 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.583 -177.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.424 ' O ' ' O ' ' B' ' 50' ' ' ASN . 44.1 t -53.59 -6.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.98 -0.288 . . . . 1.0 111.601 -176.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.516 ' H ' ' C ' ' B' ' 45' ' ' ILE . 46.2 t60 -91.87 -10.78 38.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 1.0 110.936 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -85.03 -58.36 2.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.555 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 97.0 mt -145.76 -39.34 0.24 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.684 0.278 . . . . 1.0 110.483 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' B' ' 46' ' ' SER . 65.0 m-80 -74.82 130.28 39.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.004 -177.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' B' ' 51' ' ' LEU . 7.1 mp -85.3 -58.97 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.515 -0.55 . . . . 1.0 109.515 178.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.425 ' OG ' ' ND2' ' B' ' 55' ' ' ASN . 29.8 p -80.37 149.79 30.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.163 178.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.428 ' N ' ' OE1' ' B' ' 53' ' ' GLN . 2.4 mm100 -77.47 -17.0 58.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.844 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 95.9 p -80.08 -19.3 47.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.869 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.425 ' ND2' ' OG ' ' B' ' 52' ' ' SER . 3.0 m120 -69.38 -47.89 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.977 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.9 p -78.01 -34.43 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.73 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.9 t -57.49 -67.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.371 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -45.58 -43.23 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.634 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -63.56 -38.77 92.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.695 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.46 -31.8 73.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.435 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -65.13 -34.47 78.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.557 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 31.4 mt -58.61 -41.9 86.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.572 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.65 -30.77 67.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.23 -39.03 85.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.594 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -65.35 -34.3 78.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.608 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 26.7 t -77.48 -4.84 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.333 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 59.1 t60 60.84 8.1 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.421 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.63 -13.09 39.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.104 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 33.8 m -151.09 176.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.41 . . . . 1.0 110.876 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -136.16 175.09 9.92 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.855 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -141.31 148.31 39.55 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.754 0.311 . . . . 1.0 110.569 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -143.03 149.19 37.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.448 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -90.47 149.98 22.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.042 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -153.0 97.25 2.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 1.0 110.493 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.18 -110.36 3.11 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -111.44 -31.16 7.12 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.852 0.358 . . . . 1.0 110.28 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -83.22 141.53 31.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.762 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 47.1 mtm -90.66 88.86 7.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.223 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -78.44 134.28 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.6 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -115.12 154.33 29.13 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.549 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 59.5 p -156.31 -178.68 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.201 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.25 -175.96 4.2 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -69.81 -94.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.793 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 86' ' ' HIS . 50.7 m-20 -155.32 165.45 36.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.664 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 4.1 tp -43.71 88.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.395 0.616 . . . . 1.0 110.953 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' B' ' 84' ' ' ASP . 5.6 t-160 -174.87 -39.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.612 -0.722 . . . . 1.0 109.628 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 32.6 m -85.3 -41.04 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.466 -0.788 . . . . 1.0 110.471 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.92 -19.15 65.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.346 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 17.7 m -73.27 -48.31 35.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.372 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 8.6 tpt -63.63 -26.55 68.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.238 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 20.0 tp -62.47 -54.7 36.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.615 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -70.06 -55.6 9.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.103 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -44.11 -25.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 1.0 110.964 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.402 ' C ' ' H ' ' B' ' 96' ' ' HIS . . . -74.08 -70.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.906 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.8 tt -54.34 -12.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 1.0 110.42 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . 0.402 ' H ' ' C ' ' B' ' 94' ' ' ALA . 41.6 t-80 -70.82 -46.21 63.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.506 178.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -65.68 -13.39 59.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.385 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.54 -6.37 48.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.394 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.642 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.843 0.354 . . . . 1.0 110.657 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -75.91 -56.79 4.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.105 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.0 m -54.67 -31.82 58.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.294 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.48 -60.11 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.04 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -54.05 -23.33 13.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.741 -178.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -76.34 -36.3 58.31 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.653 -0.419 . . . . 1.0 110.378 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.5 t -55.77 -25.41 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.213 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.2 m -73.19 -58.79 3.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.306 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -39.07 -32.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.429 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.3 mt -57.55 -63.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.463 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' LEU . 98.0 m-85 -59.64 -57.29 13.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.701 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -44.96 -36.11 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.937 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.0 -25.21 58.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.41 . . . . 1.0 110.375 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -81.53 -30.56 33.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.868 -0.606 . . . . 1.0 109.824 179.265 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.65 87.36 0.53 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.067 -0.813 . . . . 1.0 111.067 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -161.14 121.92 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.725 0.298 . . . . 1.0 110.344 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -55.68 -33.61 64.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.923 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.712 HD22 HE22 ' A' ' 59' ' ' GLN . 53.2 t30 -74.58 -52.09 12.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.388 -177.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -69.51 -48.96 58.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.754 0.312 . . . . 1.0 111.316 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.6 tp -46.58 -39.4 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.378 -0.373 . . . . 1.0 110.998 -176.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -70.13 -34.34 72.94 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.204 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.0 mt -68.05 -44.85 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.65 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.4 mmt -52.63 -33.94 48.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.681 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -72.49 -29.5 63.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.979 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.8 tp -75.61 -57.74 3.7 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.856 -0.337 . . . . 1.0 110.526 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.5 mp -61.85 -24.17 66.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.293 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 t -63.87 -68.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.43 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -49.63 -39.13 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.416 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.5 m -165.73 134.62 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.662 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 20.0 mp0 -52.33 167.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.471 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.0 149.05 22.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.8 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.2 p -88.64 167.72 13.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.313 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.6 t -56.98 -56.83 12.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.901 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.28 -30.38 67.54 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.445 -0.662 . . . . 1.0 111.445 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -66.94 -22.24 65.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.724 0.297 . . . . 1.0 110.993 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.3 mt -77.65 -31.35 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.865 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 50' ' ' ASN . 13.5 t -48.17 -41.28 26.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 1.0 110.898 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.491 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 19.0 t-160 -61.14 -15.9 38.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.947 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -92.88 -57.62 2.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.094 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 mp -93.4 -33.23 13.93 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.554 -0.294 . . . . 1.0 110.52 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 46' ' ' SER . 69.9 m-80 54.86 87.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.838 0.351 . . . . 1.0 110.274 -178.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -160.22 -167.49 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.342 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -69.42 124.56 24.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.729 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -54.13 -32.15 54.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.76 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.417 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 11.0 t -63.89 -17.65 63.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.756 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -74.59 -42.58 58.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.857 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 t -70.26 -41.95 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.913 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 t -55.61 -37.22 67.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.483 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.484 ' ND1' ' N ' ' A' ' 58' ' ' HIS . 1.8 m-70 -78.84 -34.31 45.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.652 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.712 HE22 HD22 ' A' ' 27' ' ' ASN . 15.0 tt0 -70.38 -60.82 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.782 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.3 tp -50.23 -31.74 14.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.665 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -67.08 -36.08 81.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.826 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.3 tp -67.78 -38.34 83.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.665 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.4 mt -64.94 -26.74 68.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.522 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -68.31 -36.84 79.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.677 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.4 m -47.27 -50.03 22.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.741 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -76.93 -1.14 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.521 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 62.25 20.61 11.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.412 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.07 -8.64 51.07 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.608 -0.437 . . . . 1.0 110.172 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.1 t -137.02 155.46 32.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.353 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -152.16 122.75 7.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.252 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.0 169.23 8.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.608 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -149.01 164.36 34.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.221 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -87.83 132.82 34.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.424 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -153.0 108.38 3.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.293 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.28 -146.57 29.2 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.76 -0.936 . . . . 1.0 110.76 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -96.55 13.34 28.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.741 0.305 . . . . 1.0 110.498 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -138.29 163.26 32.25 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.042 0.448 . . . . 1.0 110.858 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' A' ' 78' ' ' MET . 2.1 mpt? -98.96 133.29 43.44 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.104 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 tt -117.17 137.75 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.276 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -102.05 134.93 44.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.662 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.3 t -147.14 173.9 12.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.051 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 1.7 mm? -94.11 173.06 7.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.063 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -64.18 -126.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.055 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -82.87 -138.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.673 0.273 . . . . 1.0 110.504 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.7 pt -107.72 -2.97 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.257 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -61.0 -24.38 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.815 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.9 m -77.38 -38.89 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.626 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.27 -59.61 4.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.619 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.4 p -47.15 -55.34 8.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.467 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.6 ttp -53.71 -54.28 40.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.658 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.11 -43.96 74.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.528 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -64.8 -56.96 10.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.598 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -46.48 -24.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.225 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.96 -64.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.789 -0.365 . . . . 1.0 110.727 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.2 tt -60.23 -16.11 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.687 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -74.81 -34.44 62.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.483 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -83.45 -15.94 47.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.537 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.507 ' O ' ' ND2' ' A' ' 99' ' ' ASN . . . -59.64 -33.8 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.048 -178.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 98' ' ' ALA . 30.9 m120 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 1.0 110.703 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.6 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.697 0.284 . . . . 1.0 110.689 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -71.49 -59.16 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.909 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 41.6 p -64.93 -56.97 10.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.987 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.431 ' N ' ' CD1' ' B' ' 13' ' ' LEU . 9.1 mp -44.72 -30.06 0.88 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.76 -178.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -68.08 -54.26 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.49 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' B' ' 18' ' ' GLU . 56.3 ttt85 -67.13 -45.82 75.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.045 -178.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 93.5 t -46.69 -15.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.975 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.45 ' H ' ' C ' ' B' ' 15' ' ' ARG . 52.9 m -91.19 -29.15 17.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.82 0.343 . . . . 1.0 110.735 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' B' ' 15' ' ' ARG . 21.5 tt0 -77.93 -27.67 49.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.512 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 pt -62.62 -28.21 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.629 -0.429 . . . . 1.0 110.75 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -79.51 -52.48 7.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.602 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -44.75 -23.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.751 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.69 -32.22 65.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.06 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' B' ' 23' ' ' LEU . 7.2 mp -84.85 -0.77 55.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 1.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.36 178.38 10.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.093 -0.803 . . . . 1.0 111.093 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 61.68 135.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 1.0 110.877 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -70.21 -12.27 61.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.254 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -69.67 -53.97 16.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 1.0 110.925 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' B' ' 28' ' ' ARG . 7.1 mpt_? -70.14 -28.82 65.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.25 -177.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 98.5 mt -69.78 -34.44 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.281 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -75.8 -36.37 59.75 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.995 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.0 mt -67.08 -25.4 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.368 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 2.4 tpt -76.12 -32.57 59.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.647 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -60.41 -58.11 9.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.323 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.35 -41.05 83.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.143 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.57 -39.88 81.53 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.391 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 52.0 m -59.45 -30.15 68.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.421 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' B' ' 38' ' ' SER . 90.4 t -80.44 -44.8 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.609 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 5.9 m -167.3 131.07 1.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.636 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -47.74 166.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.336 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.12 148.04 21.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 1.0 110.693 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 60.2 m -79.7 168.71 18.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.406 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.403 ' CG1' ' H ' ' B' ' 43' ' ' GLY . 7.7 p -56.49 -53.21 43.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.884 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.403 ' H ' ' CG1' ' B' ' 42' ' ' VAL . . . -66.02 -17.28 65.36 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.749 -0.54 . . . . 1.0 111.749 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -76.34 -24.37 54.24 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.66 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 15.1 mm -70.05 -27.8 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 1.0 110.469 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.48 ' O ' ' N ' ' B' ' 50' ' ' ASN . 8.8 t -56.82 -46.19 81.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.93 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.528 ' N ' ' HD1' ' B' ' 47' ' ' HIS . 1.8 m80 -73.71 -23.66 59.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.429 -0.35 . . . . 1.0 111.127 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -69.13 -8.54 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.185 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.92 17.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.829 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' B' ' 50' ' ' ASN . 2.1 p-10 40.71 82.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.39 . . . . 1.0 111.883 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 77.9 mt -148.87 -177.88 6.04 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.444 ' C ' ' H ' ' B' ' 54' ' ' SER . 12.6 t -78.72 121.24 24.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.72 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -48.89 -15.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.738 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.444 ' H ' ' C ' ' B' ' 52' ' ' SER . 98.8 p -81.83 -30.5 32.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.684 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -68.06 -42.71 80.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.965 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.72 -37.15 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.822 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 28.2 t -57.36 -37.22 72.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.399 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -74.49 -54.29 7.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.342 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -52.09 -40.73 61.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.7 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.2 tp -59.5 -33.47 71.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.676 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -61.76 -35.03 76.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.763 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.431 ' CD1' ' N ' ' B' ' 62' ' ' LEU . 10.1 mp -76.11 -38.67 56.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.215 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 11.4 tp -67.13 -38.31 85.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.421 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.464 ' NZ ' ' CB ' ' B' ' 64' ' ' LYS . 2.5 ttmp? -66.91 -35.11 79.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.815 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' B' ' 67' ' ' HIS . 12.6 t -46.94 -61.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.706 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 20.5 t -60.45 -4.14 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.314 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' B' ' 65' ' ' SER . 7.2 m80 69.12 19.52 7.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.164 178.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 mt -63.58 -10.87 20.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.081 0.467 . . . . 1.0 109.843 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 30.9 m -149.09 174.67 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.714 -0.676 . . . . 1.0 109.743 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -129.04 166.86 18.42 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.14 0.495 . . . . 1.0 110.675 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -138.86 131.35 28.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.485 -0.78 . . . . 1.0 109.337 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -136.79 153.75 50.73 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.894 0.378 . . . . 1.0 110.418 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.524 ' N ' ' CD ' ' B' ' 73' ' ' ARG . 10.1 mpt_? -90.77 146.19 24.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 1.0 109.982 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -147.07 81.57 1.55 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.84 0.352 . . . . 1.0 110.255 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.83 -83.87 1.51 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -138.29 -29.5 0.82 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.621 0.248 . . . . 1.0 110.573 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 71.2 m -84.37 135.27 34.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.319 . . . . 1.0 110.698 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.439 ' O ' ' CE2' ' B' ' 80' ' ' TYR . 68.7 mtm -87.28 87.97 7.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.408 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -83.6 144.32 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.894 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.439 ' CE2' ' O ' ' B' ' 78' ' ' MET . 10.0 m-85 -120.48 151.91 38.71 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.192 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 37.2 p -148.57 178.02 8.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.879 0.371 . . . . 1.0 110.587 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.15 161.91 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.719 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.49 -67.92 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.669 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -150.98 -171.92 4.06 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.47 ' H ' ' CD1' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -85.36 94.4 3.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.967 -0.383 . . . . 1.0 109.967 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -173.32 -14.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.66 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.5 m -81.27 -34.49 13.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.022 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.35 -30.46 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.96 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' B' ' 93' ' ' GLN . 52.5 m -82.72 -30.18 29.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.087 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 6.2 tpt -68.37 -43.86 76.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.173 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 27.1 mt -72.54 -54.28 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.41 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.498 ' N ' ' CD ' ' B' ' 92' ' ' LYS . 10.4 mptt -64.71 -13.51 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.667 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' B' ' 89' ' ' THR . 44.6 mm-40 -93.2 -25.37 17.85 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.727 0.298 . . . . 1.0 110.607 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.76 -55.02 14.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.392 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.48 -26.72 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.578 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . 0.426 ' O ' ' ND1' ' B' ' 96' ' ' HIS . 0.7 OUTLIER -61.28 -37.88 84.74 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.686 179.667 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' B' ' 99' ' ' ASN . 11.3 t60 -64.42 -63.8 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.591 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -42.81 -23.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.215 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' B' ' 97' ' ' HIS . 73.9 m-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 1.0 110.916 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.4 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.851 0.358 . . . . 1.0 110.717 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -64.32 -56.25 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.688 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.9 p -62.6 -53.73 50.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.524 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 tp -45.39 -28.45 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.595 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -66.13 -57.18 8.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.272 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' CB ' ' NH1' ' A' ' 15' ' ' ARG . 29.0 mtm105 -59.34 -38.68 80.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.988 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.3 t -46.92 -43.9 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.806 0.336 . . . . 1.0 110.651 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.6 m -64.4 -35.56 81.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.732 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -60.55 -21.54 62.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.494 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.5 mt -73.7 -30.48 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.056 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -82.95 -68.15 0.73 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.699 0.285 . . . . 1.0 111.16 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -45.58 -36.26 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.217 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.98 -23.09 43.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.413 -0.358 . . . . 1.0 111.115 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 mt -89.59 8.01 33.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.492 -0.322 . . . . 1.0 111.246 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.77 -57.2 21.03 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.169 -0.773 . . . . 1.0 111.169 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -46.67 103.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 1.0 110.741 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -51.12 -18.53 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.442 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -82.45 -35.02 27.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.94 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -74.44 -34.89 63.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.225 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.4 tp -72.61 -32.17 40.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.819 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -71.89 -32.49 67.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.741 0.305 . . . . 1.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.5 mt -69.62 -24.77 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.091 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.429 ' O ' ' OG ' ' A' ' 36' ' ' SER . 25.7 ttm -74.73 -38.21 62.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.171 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -54.6 -31.06 56.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.524 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -68.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.644 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' A' ' 35' ' ' LEU . 9.8 mp -54.76 -12.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.848 -0.341 . . . . 1.0 110.242 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 32' ' ' MET . 36.7 m -75.86 -49.72 17.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.593 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 p -79.29 -24.79 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.574 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 p -170.74 121.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 1.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -46.34 168.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.494 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.48 151.13 24.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.855 0.359 . . . . 1.0 110.887 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.0 m -84.86 -175.23 5.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.681 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.52 -60.81 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.847 -0.615 . . . . 1.0 111.254 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.6 -19.26 76.3 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 120.851 -0.69 . . . . 1.0 111.973 -175.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -74.88 -33.2 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 122.554 -0.38 . . . . 1.0 111.936 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.7 pt -77.01 -16.78 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.527 -0.469 . . . . 1.0 110.968 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.1 m -55.54 -16.59 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.694 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -81.12 -17.67 49.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.381 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -81.79 -58.18 3.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.981 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 50' ' ' ASN . 7.1 tp -172.72 -19.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.874 -0.33 . . . . 1.0 111.101 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 49' ' ' LEU . 25.5 m-80 -60.84 -127.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.739 -0.385 . . . . 1.0 110.739 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 tt -165.4 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.611 -0.435 . . . . 1.0 110.821 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 t -154.61 -148.08 0.23 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.822 0.344 . . . . 1.0 110.908 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -78.36 -53.52 7.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.352 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.9 t -45.35 -50.6 12.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.275 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -72.82 -49.53 29.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.576 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.0 t -63.52 -33.1 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.005 -177.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.2 p -59.72 -44.71 93.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.087 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.458 ' N ' ' HD1' ' A' ' 58' ' ' HIS . 0.3 OUTLIER -68.71 -25.21 64.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.119 -178.35 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -80.01 -69.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 1.0 111.251 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.7 mt -45.79 -24.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.931 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -72.61 -43.76 62.89 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.776 -0.369 . . . . 1.0 110.312 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 tp -64.22 -50.39 68.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.911 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.98 -24.92 66.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 1.0 111.14 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -62.83 -40.35 97.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.762 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.7 m -71.1 -22.47 62.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.891 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.46 ' O ' ' CB ' ' A' ' 67' ' ' HIS . 24.1 t -75.01 -0.96 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.575 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.46 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 12.7 t-80 86.44 2.0 0.54 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.747 179.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.7 mt -111.23 157.47 20.07 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.262 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 t 66.84 133.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.82 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -144.23 149.16 35.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.046 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.71 122.97 45.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.861 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -96.04 129.65 43.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.19 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -85.45 105.2 15.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.753 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -128.23 83.43 2.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.35 -0.386 . . . . 1.0 109.999 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.3 -167.9 35.23 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.503 -1.039 . . . . 1.0 110.503 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -56.57 -15.48 4.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 1.0 110.353 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.4 t -92.24 116.36 28.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.949 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -100.31 143.66 30.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.092 -0.504 . . . . 1.0 109.786 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.6 pt -139.87 162.1 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.796 0.331 . . . . 1.0 110.621 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -125.22 151.45 45.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.085 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.8 p -174.45 110.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.446 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.419 ' CG ' ' H ' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -67.83 -107.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 178.722 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.419 ' H ' ' CG ' ' A' ' 82' ' ' LEU . 25.5 t0 45.0 89.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.139 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -102.21 18.94 19.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.24 -0.436 . . . . 1.0 109.83 177.303 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.521 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 9.0 mm 63.94 45.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.768 -0.651 . . . . 1.0 109.589 -176.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 24.4 m80 -163.46 -24.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.825 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.2 -36.74 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.067 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.79 -42.5 81.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.456 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.419 ' O ' ' OE1' ' A' ' 93' ' ' GLN . 17.9 p -59.47 -58.97 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.289 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.5 ttt -46.17 -43.78 15.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.402 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -63.57 -35.74 81.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.302 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 94' ' ' ALA . 16.4 ttmm -69.73 -63.63 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.419 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.464 ' CD ' ' H ' ' A' ' 93' ' ' GLN . 1.2 mp0 -42.53 -18.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.989 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -76.16 -53.03 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 1.0 110.415 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.407 HG22 HD13 ' A' ' 95' ' ' ILE . 18.2 mm -53.34 -21.82 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.566 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -75.61 -50.71 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.543 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -62.31 -33.72 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.11 -59.13 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.063 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.419 178.522 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.876 0.37 . . . . 1.0 110.582 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -82.11 -48.22 11.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.403 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.6 p -59.09 -29.66 67.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.473 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.2 -67.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.267 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -43.39 -25.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.595 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -73.06 -36.94 66.97 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.854 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . 0.53 ' O ' ' CE2' ' B' ' 20' ' ' PHE . 27.2 t -64.12 -24.19 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.319 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 29.1 m -91.69 -38.26 12.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.708 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -63.14 -13.35 35.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.797 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 7.8 pt -81.4 -33.82 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.888 -0.325 . . . . 1.0 110.946 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' B' ' 16' ' ' VAL . 6.2 m-85 -76.16 -67.09 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.598 -0.441 . . . . 1.0 111.024 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -51.42 -39.83 58.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.288 -177.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.98 -19.61 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.551 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.9 mt -106.8 50.4 0.77 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.78 -71.59 1.18 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.523 ' OD2' ' NH1' ' B' ' 28' ' ' ARG . 57.6 t0 -44.15 131.63 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 1.0 111.15 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -65.68 -10.94 40.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.0 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -67.02 -43.88 81.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.298 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.663 ' NH2' HE22 ' B' ' 59' ' ' GLN . 7.9 mpt_? -73.12 -26.71 61.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.574 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 31.3 mm -67.61 -39.41 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.763 -0.375 . . . . 1.0 110.863 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -71.94 -32.95 67.82 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.793 -0.363 . . . . 1.0 110.688 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.43 -56.93 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.471 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' MET . . . . . 0.429 ' O ' ' OG ' ' B' ' 36' ' ' SER . 65.4 mtp -49.14 -39.54 29.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.496 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.84 -31.83 73.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.796 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.47 -57.33 4.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.053 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.423 ' CD1' ' N ' ' B' ' 35' ' ' LEU . 10.2 mp -56.34 -16.8 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.527 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 32' ' ' MET . 8.3 m -69.97 -42.23 73.43 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.651 -0.419 . . . . 1.0 110.212 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 t -77.28 -40.36 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.566 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 45.9 t -164.84 135.65 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.515 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -53.87 169.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.14 148.83 22.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.873 0.368 . . . . 1.0 110.832 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 50.6 m -80.5 164.78 22.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.219 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' B' ' 43' ' ' GLY . 10.5 p -52.65 -52.37 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.633 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.434 ' N ' ' CG1' ' B' ' 42' ' ' VAL . . . -69.19 -36.63 80.1 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 121.105 -0.569 . . . . 1.0 111.687 -177.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.8 -28.46 66.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.714 0.292 . . . . 1.0 111.122 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.8 mt -74.73 -19.14 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.725 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 23.7 p -56.62 -49.1 75.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 1.0 110.906 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -60.19 -11.85 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.023 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -77.43 -55.39 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.928 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.4 mt -132.82 42.54 3.06 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.372 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 61.68 -130.29 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.549 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 22.8 mt 57.61 -178.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.784 0.326 . . . . 1.0 110.515 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.1 m -121.34 175.85 5.94 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.573 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -66.53 -34.12 77.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.729 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.504 ' HG ' ' N ' ' B' ' 55' ' ' ASN . 59.6 p -71.06 -44.54 65.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.594 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.504 ' N ' ' HG ' ' B' ' 54' ' ' SER . 19.7 m120 -58.92 -44.12 91.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.727 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 92.3 t -68.59 -30.56 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.753 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' B' ' 54' ' ' SER . 22.7 p -59.02 -34.73 72.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.58 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -36.27 59.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.102 -178.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.663 HE22 ' NH2' ' B' ' 28' ' ' ARG . 23.2 mm100 -68.21 -66.21 0.6 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.996 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 43.1 mt -48.59 -25.38 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.942 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -70.66 -40.96 72.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 1.0 110.344 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 tt -57.22 -56.02 27.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.052 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' B' ' 63' ' ' LEU . 8.4 mp -58.09 -26.91 63.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.308 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -73.52 -10.65 59.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.433 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -81.51 -50.2 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.689 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.523 ' CG1' ' H ' ' B' ' 67' ' ' HIS . 5.6 p -64.72 -70.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.575 -0.45 . . . . 1.0 111.565 -175.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.523 ' H ' ' CG1' ' B' ' 66' ' ' VAL . 29.0 t-80 -176.85 0.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.108 -0.237 . . . . 1.0 111.475 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 10.4 mp -103.51 152.69 21.39 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.74 -0.467 . . . . 1.0 109.74 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.1 t 63.62 146.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.067 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -151.4 140.81 21.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.749 -0.66 . . . . 1.0 109.867 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.66 142.0 34.54 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.99 0.424 . . . . 1.0 110.791 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -146.42 113.54 6.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.731 178.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -60.66 151.43 29.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.372 -174.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -152.91 96.69 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.517 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 63.42 48.44 78.5 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 70.75 -22.29 0.18 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.552 0.215 . . . . 1.0 111.154 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' SER . . . . . 0.522 ' H ' ' C ' ' B' ' 75' ' ' GLY . 14.8 m -84.14 119.84 25.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.8 0.333 . . . . 1.0 110.591 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -83.37 124.49 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.598 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 85.9 mt -129.42 155.51 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.21 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.484 ' CD1' ' N ' ' B' ' 80' ' ' TYR . 5.2 m-85 -127.59 159.56 34.27 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.419 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 66.6 m -159.96 -167.94 2.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.796 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.31 150.19 47.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.745 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -81.38 -21.54 38.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.384 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.505 ' OD2' ' ND1' ' B' ' 86' ' ' HIS . 26.7 t70 -172.03 178.17 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.127 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.432 ' H ' ' CG ' ' B' ' 84' ' ' ASP . 34.5 mt -78.99 -27.33 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 1.0 110.817 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.505 ' ND1' ' OD2' ' B' ' 84' ' ' ASP . 41.5 m80 -52.46 -65.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.009 -178.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 7.6 p -45.42 -29.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.098 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.77 -59.09 5.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.359 . . . . 1.0 110.59 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.421 ' O ' ' OE1' ' B' ' 93' ' ' GLN . 71.8 p -62.55 -29.67 70.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.586 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 15.2 ttt -48.6 -54.67 13.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.795 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 25.8 mt -68.25 -23.95 64.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.933 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.402 ' C ' ' H ' ' B' ' 94' ' ' ALA . 19.1 tptm -67.69 -70.22 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.593 -178.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.466 ' CD ' ' N ' ' B' ' 93' ' ' GLN . 7.5 mp0 -53.43 -12.11 0.4 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.948 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' B' ' 92' ' ' LYS . . . -72.0 -46.45 57.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.402 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 77.2 mt -72.67 -14.36 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.809 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.58 -51.18 53.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.764 -0.374 . . . . 1.0 110.299 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -63.14 -22.97 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.383 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.62 87.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.666 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.454 179.756 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.813 0.34 . . . . 1.0 110.584 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -76.0 -24.5 55.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.526 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.8 p -76.26 -65.86 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.587 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.4 tp -46.2 -24.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.341 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -73.39 -55.31 6.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.478 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.43 ' C ' ' N ' ' A' ' 17' ' ' THR . 27.4 ttp180 -50.99 -35.19 32.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.882 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.6 t -46.15 -18.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.712 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.43 ' N ' ' C ' ' A' ' 15' ' ' ARG . 84.6 m -88.0 -37.08 16.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.703 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' ARG . 77.2 mt-10 -67.89 -34.52 76.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.531 -177.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.9 pt -60.66 -27.47 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.85 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -77.72 -46.72 20.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.487 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -50.94 -20.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 1.0 110.466 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.2 -38.07 84.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.174 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.437 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 9.5 mp -72.6 -11.47 60.66 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 177.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.11 -24.11 0.51 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.939 -0.865 . . . . 1.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -79.0 143.28 35.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 1.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' ARG . 51.6 t80 -87.59 -71.6 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.235 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -45.2 -13.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.511 -177.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -75.18 -42.87 54.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.749 0.309 . . . . 1.0 110.389 -179.014 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 tp -56.89 -41.26 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.876 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -67.08 -32.68 74.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.033 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.6 mt -74.54 -35.12 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.651 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.6 ttt -62.05 -39.53 92.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.711 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.428 ' C ' ' H ' ' A' ' 35' ' ' LEU . 62.3 mm-40 -59.02 -68.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.146 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -52.1 -11.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.193 -177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.428 ' H ' ' C ' ' A' ' 33' ' ' GLU . 1.4 tt -79.93 -59.5 2.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.055 0.455 . . . . 1.0 109.994 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.5 t -47.73 -39.21 17.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.586 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.29 -36.85 71.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.418 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 35' ' ' LEU . 82.7 p -169.86 157.63 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.558 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -59.53 166.25 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.085 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.33 126.49 5.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 1.0 110.82 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t -77.12 -159.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.404 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -68.32 -63.75 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.402 . . . . 1.0 110.595 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.16 -35.63 88.32 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.17 -0.772 . . . . 1.0 111.17 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -49.73 -28.17 5.76 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 122.771 -0.252 . . . . 1.0 111.268 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 92.9 mt -74.06 -55.2 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.839 -0.344 . . . . 1.0 110.863 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.415 ' O ' ' OD1' ' A' ' 50' ' ' ASN . 99.0 p -69.75 -3.82 17.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.37 . . . . 1.0 110.353 178.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -35.3 -48.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.642 -0.708 . . . . 1.0 112.599 -175.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -97.05 -45.33 6.61 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.847 0.356 . . . . 1.0 110.782 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.2 mt -57.42 -58.21 9.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.741 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 46' ' ' SER . 1.6 m120 56.06 92.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.647 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -143.71 -65.67 0.37 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.216 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.3 m -155.19 121.2 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.624 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -74.34 -34.94 63.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.654 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.5 m -59.17 -26.14 64.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.355 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -76.69 -40.23 49.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.462 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.3 -40.95 82.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.484 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -62.17 -34.11 75.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.361 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -73.72 -64.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.705 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -49.97 -50.2 47.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.745 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.1 tp -49.11 -37.47 21.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.664 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -69.94 -35.59 74.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.678 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.75 -38.64 85.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.473 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.49 -21.01 65.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.763 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -72.27 -21.5 61.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.278 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 67' ' ' HIS . 83.8 p -72.01 -59.55 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.668 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.1 t -59.18 -6.55 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.926 0.393 . . . . 1.0 110.125 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.473 ' H ' ' C ' ' A' ' 65' ' ' SER . 8.8 t-160 66.69 10.54 7.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.742 177.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.86 -9.28 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.423 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 70' ' ' LYS . 63.9 t -142.56 162.4 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.664 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.413 ' N ' ' CG1' ' A' ' 69' ' ' VAL . 31.4 ttmt -142.71 135.01 27.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.152 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.53 156.81 19.68 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.632 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -139.82 156.04 46.94 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.006 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -88.88 140.62 29.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.81 0.338 . . . . 1.0 110.704 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -153.24 99.78 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.104 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.19 -132.56 13.61 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.472 -1.051 . . . . 1.0 110.472 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -102.03 24.65 9.76 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.028 0.442 . . . . 1.0 109.933 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.0 p -150.68 168.75 23.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.521 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.6 ptp -115.57 143.9 44.66 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.539 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.2 mm -116.15 127.28 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.194 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -92.8 138.14 31.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.043 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.3 m -154.51 -176.38 5.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.919 0.39 . . . . 1.0 110.787 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.95 143.77 57.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.78 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -79.93 -17.17 53.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.381 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -172.21 168.0 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.52 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.1 pt -75.59 -10.19 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.795 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -68.92 -29.62 67.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.797 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.4 t -61.87 -46.71 95.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.122 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.78 -35.58 61.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.994 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.9 m -78.2 -62.82 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.944 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 90' ' ' MET . 2.1 tmt? -43.35 -39.04 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.974 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.6 tp -61.33 -68.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.602 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -58.1 -47.2 83.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.785 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -49.11 -22.03 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.413 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.64 -52.68 8.09 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.696 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.472 ' CD1' ' N ' ' A' ' 95' ' ' ILE . 1.9 mp -58.66 -13.04 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.88 -0.415 . . . . 1.0 109.88 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' A' ' 99' ' ' ASN . 1.4 m-70 -76.09 -54.61 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.758 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -57.66 -30.93 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.789 -0.364 . . . . 1.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.41 -49.32 72.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.788 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.431 ' O ' ' O ' ' A' ' 96' ' ' HIS . 13.4 p30 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.553 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.864 0.364 . . . . 1.0 110.611 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -56.8 -52.86 63.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.647 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 65.3 p -60.01 -50.17 74.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.491 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 38.0 tp -43.41 -30.01 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.825 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -73.84 -57.23 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.853 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' B' ' 17' ' ' THR . 45.5 mtp180 -49.99 -47.8 52.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.745 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -44.33 -16.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.888 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.51 ' N ' ' O ' ' B' ' 15' ' ' ARG . 8.2 m -84.53 -45.53 12.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.379 -178.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -15.13 63.48 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.59 -177.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 46.2 mm -58.77 -52.44 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.383 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' B' ' 23' ' ' LEU . 58.0 m-85 -64.62 -53.3 49.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.637 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.479 ' C ' ' H ' ' B' ' 23' ' ' LEU . 85.7 tttt -49.88 -42.4 47.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.506 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.28 16.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.535 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -130.31 -14.38 3.8 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 -178.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.56 93.96 0.22 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.137 -0.785 . . . . 1.0 111.137 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.517 ' CB ' HH11 ' B' ' 28' ' ' ARG . 26.4 t70 -170.3 164.57 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.159 -0.311 . . . . 1.0 110.159 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 34.5 m-85 -88.77 -52.23 5.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.106 0.479 . . . . 1.0 111.068 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -60.84 -25.61 66.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.709 -0.678 . . . . 1.0 111.56 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.517 HH11 ' CB ' ' B' ' 25' ' ' ASP . 75.5 mtt85 -75.47 -16.12 60.35 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.738 -0.385 . . . . 1.0 110.744 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 mm -77.11 -47.12 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.731 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -76.09 -37.56 58.04 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.819 -0.352 . . . . 1.0 111.206 -178.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 93.2 mt -64.67 -59.2 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.336 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 25.1 ttt -48.56 -35.48 13.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.712 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.96 -50.32 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.552 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tt -46.94 -56.67 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.195 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 30.5 mt -43.51 -49.8 7.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.016 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.0 m -54.29 -40.98 68.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.878 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -70.13 -54.12 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 1.0 110.824 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 92.1 p -162.42 151.03 14.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.486 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -56.72 170.51 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.435 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.51 174.43 12.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.108 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 57.8 p -121.42 -173.15 2.56 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.811 -0.44 . . . . 1.0 109.811 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.466 ' CG1' ' H ' ' B' ' 43' ' ' GLY . 7.3 p -62.97 -56.72 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.747 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.466 ' H ' ' CG1' ' B' ' 42' ' ' VAL . . . -74.18 -37.99 47.75 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 121.205 -0.521 . . . . 1.0 112.177 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -51.11 -24.84 4.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.969 0.385 . . . . 1.0 110.942 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 10.1 tp -61.31 -16.23 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.125 0.488 . . . . 1.0 110.129 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.529 ' O ' ' N ' ' B' ' 50' ' ' ASN . 58.7 p -64.15 -59.44 4.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.68 -0.691 . . . . 1.0 111.014 -178.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -40.7 -22.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.092 0.472 . . . . 1.0 110.71 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' B' ' 46' ' ' SER . 7.5 tp-100 -92.18 -44.78 8.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.518 -0.765 . . . . 1.0 110.026 177.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' B' ' 46' ' ' SER . 21.5 mt -141.47 63.41 1.43 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.196 -0.457 . . . . 1.0 109.962 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' B' ' 46' ' ' SER . 54.6 t-20 -58.49 81.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.785 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' B' ' 49' ' ' LEU . 27.1 mt -133.85 -171.99 2.87 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.164 -0.471 . . . . 1.0 109.9 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 58.4 m -49.05 110.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.528 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -46.16 -38.77 8.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.794 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 27.7 m -48.59 -28.27 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.607 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.96 -24.74 65.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.077 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 94.5 t -73.44 -50.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 1.0 110.774 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 11.7 t -51.41 -40.1 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.614 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -64.56 -48.93 73.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.985 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -58.06 -69.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.869 0.366 . . . . 1.0 111.184 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 48.0 mt -40.92 -27.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.222 -178.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -68.99 -43.47 74.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.237 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 mt -73.71 -57.52 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.301 . . . . 1.0 111.162 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.444 ' CD1' ' H ' ' B' ' 63' ' ' LEU . 9.9 mp -45.79 -41.08 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.359 . . . . 1.0 110.424 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.63 -31.67 69.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.799 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.501 ' OG ' ' N ' ' B' ' 66' ' ' VAL . 19.4 p -48.7 -61.06 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.688 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.501 ' N ' ' OG ' ' B' ' 65' ' ' SER . 6.7 m -75.63 2.4 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.735 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 48.1 m80 57.17 33.93 24.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.808 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -76.25 -10.99 59.83 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.805 -0.813 . . . . 1.0 108.805 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 52.3 t -135.76 155.33 35.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.835 -0.62 . . . . 1.0 109.837 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -133.52 127.23 32.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.981 0.42 . . . . 1.0 110.198 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.58 138.27 39.71 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.047 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -130.5 149.62 52.08 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.168 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -93.64 136.05 34.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.145 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -143.16 87.56 1.97 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.457 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.1 -65.45 2.64 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -158.35 -23.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.6 0.238 . . . . 1.0 110.837 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 34.3 t -89.01 130.69 35.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.75 0.31 . . . . 1.0 110.765 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.488 ' O ' ' CE2' ' B' ' 80' ' ' TYR . 60.3 mmm -87.27 99.44 11.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.279 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 13.9 mm -81.17 149.53 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.991 0.424 . . . . 1.0 111.045 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.488 ' CE2' ' O ' ' B' ' 78' ' ' MET . 55.9 m-85 -130.07 141.73 50.68 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.905 -0.588 . . . . 1.0 109.835 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' B' ' 82' ' ' LEU . 41.7 t -158.29 -168.34 2.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.038 0.446 . . . . 1.0 110.966 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.432 ' N ' ' OG ' ' B' ' 81' ' ' SER . 18.1 mt -68.4 147.96 51.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.792 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 83' ' ' ASP . 5.0 t70 -83.83 -23.02 31.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.441 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -168.02 150.17 5.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.33 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 17.0 mm -59.98 -21.37 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.638 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -70.17 -15.35 62.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.693 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 59.4 t -75.78 -43.65 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.709 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.73 -54.24 47.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.754 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 10.0 m -55.13 -45.33 75.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.749 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' MET . . . . . 0.437 ' C ' ' SD ' ' B' ' 90' ' ' MET . 1.8 tmt? -53.56 -44.95 69.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.741 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.7 tp -59.7 -44.65 93.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.819 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.479 ' NZ ' ' CB ' ' B' ' 92' ' ' LYS . 8.1 mtpm? -67.33 -56.66 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.995 -178.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -51.72 -20.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.238 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.12 -68.11 0.72 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.834 0.349 . . . . 1.0 110.814 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 73.8 mt -50.84 -21.55 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.705 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 -75.97 -39.81 55.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.882 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -77.69 -13.96 59.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.528 -0.306 . . . . 1.0 110.874 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.94 -52.94 3.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.758 0.313 . . . . 1.0 111.204 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.672 179.839 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 12' ' ' THR . 68.4 p . . . . . 0 N--CA 1.461 0.089 0 CA-C-O 120.768 0.318 . . . . 1.0 110.257 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.402 ' N ' ' OG1' ' A' ' 10' ' ' THR . 34.8 t70 -33.64 -27.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.534 -0.757 . . . . 1.0 112.252 -176.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.626 ' HG1' ' H ' ' A' ' 13' ' ' LEU . 18.6 p -69.72 -71.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.562 -0.29 . . . . 1.0 111.058 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.626 ' H ' ' HG1' ' A' ' 12' ' ' THR . 9.7 mp -68.03 -9.26 44.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.076 -177.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -79.78 -35.96 37.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.742 0.306 . . . . 1.0 110.844 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -81.51 -39.15 25.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.552 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.2 t -57.01 -39.15 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.368 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 19' ' ' ILE . 36.7 m -63.19 -61.8 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.334 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -36.4 -29.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.829 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' THR . 83.6 mt -54.92 -53.41 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.445 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' LEU . 14.9 m-85 -75.83 -61.06 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.874 -179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -43.32 -45.75 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.157 -178.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.93 -24.24 66.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.88 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 20' ' ' PHE . 6.3 tp -83.13 29.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.362 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.49 82.31 1.68 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -161.98 146.12 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.699 0.285 . . . . 1.0 110.306 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -87.75 -67.45 0.82 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.061 0.457 . . . . 1.0 110.83 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -52.57 -15.45 0.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.109 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -76.77 -30.31 56.45 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.898 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.406 HD12 HG22 ' A' ' 29' ' ' ILE . 14.3 mm -72.57 -37.03 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.859 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.487 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 48.8 ttt85 -71.6 -31.0 66.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.749 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.1 mt -73.24 -50.45 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.342 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.4 tpt -52.21 -36.15 51.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.53 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -55.73 -62.53 1.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.4 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.6 tp -49.23 -54.46 16.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.299 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.15 -53.44 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.744 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 m -55.72 -45.57 77.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.161 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.48 -30.53 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.499 -0.319 . . . . 1.0 110.99 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t 172.11 138.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.581 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -55.79 154.04 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.647 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.513 ' O ' ' CE1' ' A' ' 80' ' ' TYR . . . -156.96 164.83 37.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.345 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.7 p -89.76 161.55 15.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.4 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 81.5 t -50.76 -51.57 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.717 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.56 -36.83 90.9 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.528 -0.629 . . . . 1.0 111.528 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -65.34 -31.79 73.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.66 0.267 . . . . 1.0 111.017 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.62 -28.11 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.841 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 50' ' ' ASN . 55.5 p -53.66 -24.49 14.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.083 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -79.02 -11.38 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.947 0.403 . . . . 1.0 110.534 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 30' ' ' ARG . 60.6 tt0 -75.68 -45.77 35.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.863 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.8 tp -171.46 -28.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.785 -0.366 . . . . 1.0 110.984 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.497 HD21 ' CG ' ' A' ' 55' ' ' ASN . 8.5 m120 -81.6 128.0 33.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.884 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.48 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 3.4 mm? -101.34 24.65 9.27 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 177.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.504 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 3.3 p -157.56 138.06 12.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.107 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -85.02 -21.38 29.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.33 -178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.0 p -66.57 -36.04 81.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.557 -0.292 . . . . 1.0 111.261 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.526 ' OD1' ' N ' ' A' ' 56' ' ' VAL . 18.6 p30 -67.87 -36.47 80.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.733 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.526 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 10.5 t -68.42 -36.88 76.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.753 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.6 m -56.91 -40.85 77.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.865 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.525 ' ND1' ' N ' ' A' ' 58' ' ' HIS . 1.3 m-70 -75.67 -60.29 2.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.932 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -49.04 -53.62 19.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.011 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.5 tp -56.49 -33.49 66.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.785 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -60.71 -31.4 70.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 1.0 110.679 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.5 mt -70.08 -54.13 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.667 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.7 mp -52.79 -35.66 57.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.196 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -61.47 -29.91 70.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.39 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 t -74.28 -33.11 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.406 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.22 -0.88 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.108 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 66.04 9.06 5.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.256 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.3 mt -74.32 -12.97 60.68 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.749 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.436 ' CG2' ' N ' ' A' ' 70' ' ' LYS . 7.2 p -145.48 162.81 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-O 120.96 0.409 . . . . 1.0 110.59 -178.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.436 ' N ' ' CG2' ' A' ' 69' ' ' VAL . 0.9 OUTLIER -142.87 174.88 10.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.109 -179.664 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -153.88 158.87 41.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 1.0 110.506 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -148.87 161.38 41.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.037 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -93.34 136.9 33.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.371 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -153.02 80.57 1.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.54 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.537 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 79.03 49.47 6.36 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.085 -0.806 . . . . 1.0 111.085 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 69.32 -16.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.558 0.218 . . . . 1.0 111.28 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 75' ' ' GLY . 25.3 p -87.98 120.85 29.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.815 0.34 . . . . 1.0 110.606 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 29.5 mtt -83.25 87.95 6.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.501 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.8 mm -88.61 159.15 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.656 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.513 ' CE1' ' O ' ' A' ' 40' ' ' ALA . 5.3 p90 -150.08 175.89 11.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.219 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 31.3 t -157.44 -175.59 5.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.626 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.466 ' N ' ' OG ' ' A' ' 81' ' ' SER . 59.5 tp -73.31 151.69 41.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.454 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.419 ' OD2' ' OD1' ' A' ' 84' ' ' ASP . 15.8 t70 -46.79 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.734 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 86' ' ' HIS . 8.3 m-20 -157.82 -167.92 2.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.994 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.8 pt -70.02 5.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.629 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.46 ' H ' ' C ' ' A' ' 84' ' ' ASP . 33.6 m170 -83.12 -93.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.886 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.5 t -45.89 -23.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.912 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.85 -51.94 20.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.969 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.1 m -77.97 -41.09 37.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.056 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 35.3 ttp -44.73 -42.22 7.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.967 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.6 tt -72.1 -57.87 3.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.207 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -60.75 -10.53 5.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -89.3 -25.92 21.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.951 0.405 . . . . 1.0 110.605 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.88 -61.3 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.627 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.9 pt -62.02 -22.38 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.65 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -70.3 -41.67 73.02 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.337 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 97' ' ' HIS . 57.9 t60 -73.2 -6.19 44.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.55 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.54 97.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.004 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 10.4 p30 . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.519 -179.354 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.811 0.339 . . . . 1.0 110.808 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.95 -28.34 69.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.331 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.457 ' C ' ' N ' ' B' ' 14' ' ' GLU . 95.6 m -79.37 -48.92 13.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.739 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' B' ' 13' ' ' LEU . 8.6 mp -48.22 -16.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 1.0 109.914 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.457 ' N ' ' C ' ' B' ' 12' ' ' THR . 42.2 mt-10 -84.38 -52.81 5.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.354 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' B' ' 18' ' ' GLU . 85.6 mtm-85 -60.82 -46.99 88.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.498 -177.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 m -42.7 -39.75 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.641 0.258 . . . . 1.0 111.273 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 18.5 p -62.36 -34.12 76.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 1.0 110.776 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 15' ' ' ARG . 13.2 tm-20 -68.76 -22.46 64.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.615 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.3 mt -74.24 -33.93 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.948 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -77.86 -59.56 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.851 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -46.86 -32.3 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.103 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.454 ' O ' ' CZ ' ' B' ' 28' ' ' ARG . . . -59.31 -22.1 60.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.091 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -94.0 30.32 1.9 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.71 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.42 -87.16 0.02 OUTLIER Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.536 -0.626 . . . . 1.0 111.536 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 26' ' ' TYR . 9.7 t0 -41.88 150.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.36 . . . . 1.0 111.265 -177.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.446 ' N ' ' OD1' ' B' ' 25' ' ' ASP . 41.3 p90 -86.94 -14.72 41.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.624 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.526 ' OD1' ' N ' ' B' ' 28' ' ' ARG . 22.0 p30 -79.49 -39.25 32.56 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.962 -0.295 . . . . 1.0 111.248 -177.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.526 ' N ' ' OD1' ' B' ' 27' ' ' ASN . 11.2 ptm180 -68.15 -37.5 81.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 1.0 111.0 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 17.3 tt -77.0 -22.16 14.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.674 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -67.91 -28.3 67.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.967 0.413 . . . . 1.0 110.133 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.26 -40.41 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.304 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 46.0 mtt -57.26 -30.07 64.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.187 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -71.07 -28.94 64.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.973 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -55.39 11.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.875 -0.602 . . . . 1.0 109.949 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -53.52 -23.1 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.942 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -71.17 -50.07 37.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 1.0 110.548 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.6 -34.87 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.477 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t 170.26 156.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.411 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.75 159.46 34.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.509 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.23 172.26 18.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.702 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 94.1 p -92.85 152.0 19.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.415 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' B' ' 43' ' ' GLY . 14.1 p -50.58 -47.19 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.958 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.422 ' N ' ' CG1' ' B' ' 42' ' ' VAL . . . -65.75 -30.88 78.22 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 120.967 -0.635 . . . . 1.0 111.549 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -75.73 -36.98 59.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.734 0.272 . . . . 1.0 111.734 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.455 ' C ' ' H ' ' B' ' 47' ' ' HIS . 2.4 pp -81.08 -12.7 12.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 121.028 -0.269 . . . . 1.0 110.834 -178.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.415 ' O ' ' O ' ' B' ' 50' ' ' ASN . 5.3 t -60.35 -5.84 1.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.92 0.391 . . . . 1.0 110.375 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.455 ' H ' ' C ' ' B' ' 45' ' ' ILE . 1.6 m-70 -82.3 -10.36 59.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.561 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -73.84 -55.57 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.333 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 pp -172.99 -17.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.551 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' B' ' 46' ' ' SER . 34.1 m120 -85.69 143.76 28.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.147 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.48 29.92 0.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.036 -0.357 . . . . 1.0 110.036 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.515 ' HG ' ' CG ' ' B' ' 55' ' ' ASN . 10.9 t -142.27 96.13 2.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.203 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -48.66 -17.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.86 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.406 ' N ' ' C ' ' B' ' 52' ' ' SER . 32.6 t -85.33 -40.73 16.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.303 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.515 ' CG ' ' HG ' ' B' ' 52' ' ' SER . 13.0 m120 -73.86 -42.77 60.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.15 -178.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' B' ' 57' ' ' SER . 10.9 p -72.39 -43.54 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.978 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.426 ' N ' ' CG1' ' B' ' 56' ' ' VAL . 42.6 t -59.41 -23.98 63.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.954 0.407 . . . . 1.0 110.529 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -78.64 -55.1 5.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.257 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -47.38 -50.81 21.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.855 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.2 mt -55.16 -32.11 61.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.891 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -69.5 -38.17 77.51 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.776 -0.369 . . . . 1.0 110.735 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -69.64 -36.15 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.682 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 tp -76.54 -29.55 56.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 1.0 110.362 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' B' ' 67' ' ' HIS . 1.4 tmtp? -51.13 -50.0 59.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 1.0 109.97 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.516 ' C ' ' H ' ' B' ' 67' ' ' HIS . 18.4 p -50.77 -40.5 55.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.773 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.1 -1.1 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.115 0.484 . . . . 1.0 109.836 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.516 ' H ' ' C ' ' B' ' 65' ' ' SER . 14.4 t60 73.0 15.66 4.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.294 -0.866 . . . . 1.0 112.25 175.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' B' ' 68' ' ' LEU . 7.3 mp -83.36 -103.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.947 -0.39 . . . . 1.0 109.947 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 31.6 m -52.95 157.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.956 0.408 . . . . 1.0 110.952 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -152.73 126.96 9.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.892 -0.594 . . . . 1.0 110.148 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.67 133.21 48.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.696 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -121.22 161.4 21.98 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.177 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -88.79 123.21 32.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.212 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . 0.415 ' O ' ' OG ' ' B' ' 77' ' ' SER . 39.8 tt0 -152.8 104.25 2.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.538 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . 0.509 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 56.46 52.03 52.65 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.094 -0.802 . . . . 1.0 111.094 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 54.98 5.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.612 0.244 . . . . 1.0 111.095 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' SER . . . . . 0.509 ' H ' ' C ' ' B' ' 75' ' ' GLY . 13.1 p -107.81 120.1 41.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.774 0.321 . . . . 1.0 110.262 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.421 ' O ' ' CE1' ' B' ' 80' ' ' TYR . 49.9 mtt -85.49 87.71 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.549 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 97.3 mt -80.64 155.9 4.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.389 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.421 ' CE1' ' O ' ' B' ' 78' ' ' MET . 9.0 m-85 -125.3 137.96 54.08 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.418 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 11.0 m -147.99 178.28 8.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.421 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -69.76 164.28 23.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.88 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -81.08 -45.76 16.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.582 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.517 ' CG ' ' H ' ' B' ' 85' ' ' ILE . 20.3 t70 -172.68 -169.29 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.199 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.527 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 12.0 mm -77.68 86.35 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 1.0 110.611 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' B' ' 85' ' ' ILE . 29.3 m80 -159.39 -86.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.827 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 24.6 m -46.09 -20.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.532 . . . . 1.0 111.328 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.07 -55.37 35.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 1.0 110.829 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 69.4 p -66.89 -30.78 71.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.053 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 26.3 ttt -51.85 -53.47 40.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.646 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.72 -43.85 76.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.466 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -65.85 -67.88 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 1.0 110.674 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -41.09 -26.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.311 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.8 -70.25 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.041 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.0 tt -60.82 -19.11 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.694 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -76.5 -23.83 53.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.337 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -70.41 -56.69 6.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.671 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.42 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.924 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.958 -178.779 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.0 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 1.0 110.59 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -78.38 -64.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.512 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.3 p -57.4 -28.44 63.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.483 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -60.34 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.117 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -50.18 -24.43 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.591 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -78.82 -20.7 49.07 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.819 -0.353 . . . . 1.0 110.908 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.7 -18.18 23.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.379 . . . . 1.0 110.111 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 23.6 p -89.14 -59.61 2.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.388 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' N ' ' OG1' ' A' ' 17' ' ' THR . 77.4 tt0 -39.66 -34.65 0.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.915 -177.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 pt -62.31 -35.61 70.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.428 -0.509 . . . . 1.0 110.524 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -79.46 -59.28 2.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.709 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -48.95 -28.51 3.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.267 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.52 -26.77 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.645 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 25' ' ' ASP . 7.1 mp -92.63 -17.51 24.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.175 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.34 73.39 0.01 OUTLIER Glycine 0 CA--C 1.527 0.831 0 CA-C-N 115.884 -0.598 . . . . 1.0 111.712 -177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' LEU . 30.5 t0 -173.79 123.52 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.96 0.41 . . . . 1.0 110.251 178.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -53.27 -31.95 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.753 -0.658 . . . . 1.0 112.316 -176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.473 ' ND2' ' CG ' ' A' ' 25' ' ' ASP . 10.7 p30 -82.03 -38.84 24.39 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.853 -0.339 . . . . 1.0 111.712 -176.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.712 ' HE ' HE22 ' A' ' 59' ' ' GLN . 99.0 mtt180 -73.2 -33.24 65.27 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.735 -0.386 . . . . 1.0 111.128 -178.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.0 tp -74.08 -36.29 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 1.0 111.319 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -70.58 -34.26 72.0 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.939 -0.304 . . . . 1.0 111.598 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 23.9 pt -74.72 -23.83 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.613 -0.435 . . . . 1.0 110.226 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.1 tpt -68.55 -35.59 77.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.24 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -67.14 -27.63 67.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.452 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.94 -60.31 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.223 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.7 mt -50.81 -17.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.491 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.5 m -74.16 -65.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.708 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.6 m -54.4 -37.78 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.703 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.5 p -169.3 151.14 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 1.0 110.716 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.66 169.71 5.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.554 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.86 144.29 18.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.524 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 t -79.05 172.2 14.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.316 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.437 ' CG1' ' H ' ' A' ' 43' ' ' GLY . 7.4 p -59.47 -55.83 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.803 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.437 ' H ' ' CG1' ' A' ' 42' ' ' VAL . . . -74.54 -20.1 79.66 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.767 -0.73 . . . . 1.0 111.645 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -75.97 -37.72 58.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.807 0.303 . . . . 1.0 111.741 -176.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.9 tt -77.73 -13.54 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.599 -0.44 . . . . 1.0 110.454 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -59.36 -57.73 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.643 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -58.21 -19.56 34.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.681 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -72.71 3.24 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.05 0.452 . . . . 1.0 110.051 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -155.32 -3.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.488 -0.56 . . . . 1.0 109.488 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.6 t30 51.67 82.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.811 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tp -165.09 -167.78 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.132 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.3 t -85.19 152.11 23.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.504 -0.316 . . . . 1.0 110.576 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -76.83 -20.3 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.954 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.438 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 22.9 p -75.07 -28.47 60.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.779 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -69.94 -44.91 68.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.923 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.8 m -76.1 -40.28 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.808 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.4 m -55.51 -31.99 62.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.102 0.477 . . . . 1.0 110.299 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 54' ' ' SER . 5.4 m-70 -69.12 -35.42 76.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.35 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.712 HE22 ' HE ' ' A' ' 28' ' ' ARG . 22.4 mm100 -64.81 -51.4 62.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.957 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.5 mt -46.8 -31.91 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.624 -0.262 . . . . 1.0 111.044 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -69.24 -42.34 75.79 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.499 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.422 ' O ' ' OG ' ' A' ' 65' ' ' SER . 14.0 mt -61.56 -55.93 25.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.604 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 68' ' ' LEU . 10.4 mp -55.3 -32.48 62.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.542 -0.299 . . . . 1.0 110.273 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -66.03 -30.48 71.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.712 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 67' ' ' HIS . 59.6 p -67.44 -39.24 85.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.671 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.521 ' C ' ' H ' ' A' ' 68' ' ' LEU . 2.4 t -80.35 35.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.437 . . . . 1.0 110.314 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 58.0 t-80 47.72 11.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 66' ' ' VAL . 7.3 tp -101.79 144.01 31.0 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.935 -0.394 . . . . 1.0 109.935 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.8 t 59.22 156.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 1.0 110.86 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -164.08 157.52 18.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.26 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.74 150.22 28.64 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.923 0.392 . . . . 1.0 110.838 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -147.79 114.03 5.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.958 -0.565 . . . . 1.0 109.933 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 145.06 48.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.344 0.592 . . . . 1.0 111.603 -173.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -152.84 100.4 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.941 -1.027 . . . . 1.0 110.059 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.93 -116.51 4.35 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -111.67 -29.17 7.82 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.907 0.384 . . . . 1.0 110.254 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.0 m -88.43 149.3 23.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.819 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.518 ' O ' ' CE1' ' A' ' 80' ' ' TYR . 65.7 mtt -96.94 102.92 14.79 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.123 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.566 ' N ' ' CD1' ' A' ' 79' ' ' ILE . 1.6 mp -86.46 135.78 24.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.507 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' A' ' 78' ' ' MET . 19.6 m-85 -118.19 152.9 34.77 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.063 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 91.1 p -159.17 -173.31 4.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.673 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 3.0 mm? -69.87 156.24 39.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.368 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -65.52 -38.77 90.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.331 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 17.8 t70 -165.38 -176.9 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.712 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.495 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 13.8 pt -83.35 9.01 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.521 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 88' ' ' ALA . 50.5 m170 -83.37 -82.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.835 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 m -46.14 -19.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.802 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 86' ' ' HIS . . . -60.2 -53.47 57.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.521 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.5 p -58.8 -46.24 88.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.638 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.9 ttp -46.66 -40.06 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.631 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 tp -61.47 -49.49 76.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.469 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 94' ' ' ALA . 9.1 mtpm? -61.38 -60.69 3.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.82 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -43.36 -17.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.214 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -77.71 -49.42 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.977 -0.289 . . . . 1.0 110.723 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.507 ' CD1' ' N ' ' A' ' 95' ' ' ILE . 1.6 mp -64.09 -13.9 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.64 -0.504 . . . . 1.0 109.64 178.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -75.13 -64.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.014 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -55.77 -21.35 18.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 1.0 110.547 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.91 -26.19 29.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.421 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.624 -179.906 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.756 0.313 . . . . 1.0 110.923 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -58.94 -36.24 74.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.578 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.444 ' CG2' ' N ' ' B' ' 13' ' ' LEU . 13.6 t -73.69 -44.64 56.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.605 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.444 ' N ' ' CG2' ' B' ' 12' ' ' THR . 38.3 tp -45.55 -26.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.454 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -88.72 -45.3 9.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.663 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -59.3 -45.88 90.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.943 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 34.0 m -50.73 -39.35 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.549 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 18.2 m -55.64 -37.05 67.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.546 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -63.68 -27.05 68.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.828 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.95 -38.1 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.495 -0.32 . . . . 1.0 110.768 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.429 ' C ' ' N ' ' B' ' 22' ' ' ALA . 75.0 m-85 -67.64 -62.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 1.0 110.644 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -49.6 -14.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.796 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.429 ' N ' ' C ' ' B' ' 20' ' ' PHE . . . -64.04 -37.42 87.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.066 -178.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -74.18 -76.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.578 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.73 -102.64 0.1 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.624 -0.59 . . . . 1.0 111.624 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.26 119.33 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 1.0 111.702 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.577 ' CE1' ' ND2' ' B' ' 27' ' ' ASN . 41.2 p90 -65.6 -16.24 63.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.182 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.577 ' ND2' ' CE1' ' B' ' 26' ' ' TYR . 69.4 m-80 -79.32 -31.23 43.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.952 0.406 . . . . 1.0 110.371 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -66.77 -43.1 84.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.914 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 15.7 pt -73.32 -25.45 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.22 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -65.76 -31.81 72.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.058 0.456 . . . . 1.0 110.196 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 87.5 mt -73.36 -28.36 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.203 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 26.2 ttt -70.83 -36.95 73.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -61.7 -63.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.079 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.27 -22.8 53.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.467 -0.333 . . . . 1.0 111.173 -177.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -81.27 -42.29 20.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.957 0.408 . . . . 1.0 110.086 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 28.5 t -53.62 -40.71 65.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.853 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 24.1 m -72.75 -28.75 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.7 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -161.01 111.89 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.818 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -46.39 167.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.613 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.91 147.83 23.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.921 0.391 . . . . 1.0 110.837 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.45 ' O ' ' CD1' ' B' ' 45' ' ' ILE . 9.5 m -79.25 -159.0 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.727 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 72.1 t -80.37 -65.63 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.75 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' B' ' 45' ' ' ILE . . . -62.15 -49.85 70.87 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.543 -0.623 . . . . 1.0 111.543 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -42.94 -20.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.791 -0.241 . . . . 1.0 111.405 -178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' B' ' 43' ' ' GLY . 90.7 mt -81.87 -33.57 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.552 -0.295 . . . . 1.0 111.208 -178.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 43' ' ' GLY . 12.8 p -46.72 -42.7 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 1.0 111.097 -178.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.477 ' N ' ' HD1' ' B' ' 47' ' ' HIS . 0.8 OUTLIER -69.33 -15.62 63.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.478 -178.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -73.58 -57.35 4.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.872 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 36.5 tp -173.88 -16.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.027 0.441 . . . . 1.0 110.537 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.582 ' N ' HD21 ' B' ' 50' ' ' ASN . 1.6 m120 -81.33 -11.19 59.39 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.398 0.518 . . . . 1.0 112.398 -176.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 mp 42.41 -89.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.911 0.386 . . . . 1.0 110.891 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.542 ' N ' ' O ' ' B' ' 50' ' ' ASN . 13.2 p -56.39 128.64 36.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.366 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -76.04 -24.73 55.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.224 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.4 m -72.15 -27.91 62.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.874 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -69.88 -44.5 69.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.144 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.14 -36.33 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 1.0 110.86 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.5 m -62.88 -38.34 90.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.711 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -69.06 -58.42 4.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.896 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -54.25 -40.17 67.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.962 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.7 -31.67 71.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.589 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -67.51 -32.6 73.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.871 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 8.8 tp -67.27 -38.56 85.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.718 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 13.6 mt -65.58 -25.69 67.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.779 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -74.68 -28.5 60.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.553 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 6.8 m -66.94 -35.67 80.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.611 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 25.1 t -79.44 -0.78 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.354 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 75.94 8.12 3.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.458 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' B' ' 69' ' ' VAL . 20.6 mt -62.41 -118.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.388 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' B' ' 68' ' ' LEU . 33.5 m -41.79 168.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.961 0.41 . . . . 1.0 111.421 -178.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -141.32 145.85 35.98 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.158 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -106.46 134.9 48.89 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.977 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -105.38 131.55 52.68 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.066 -0.516 . . . . 1.0 109.881 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -89.8 120.49 31.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.846 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -137.41 88.84 2.37 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.67 -164.2 42.68 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.443 -1.063 . . . . 1.0 110.443 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.86 -9.88 11.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 1.0 110.384 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 43.9 t -96.28 115.64 27.75 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.757 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 54.5 mtm -98.43 140.27 32.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.177 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.6 pt -139.51 162.25 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.398 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' B' ' 80' ' ' TYR . 8.5 m-85 -131.49 165.97 22.39 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.468 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 18.8 m -159.84 -172.57 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.708 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 25.8 mt -61.78 172.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.398 . . . . 1.0 110.785 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 0.5 OUTLIER -81.49 -72.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.497 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.52 ' CG ' ' HD1' ' B' ' 86' ' ' HIS . 30.2 p30 -161.91 -170.76 2.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 1.0 109.764 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.514 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 18.3 pt -71.88 58.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.882 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.52 ' HD1' ' CG ' ' B' ' 84' ' ' ASP . 33.1 m80 -146.03 -41.59 0.21 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.274 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 28.8 m -81.12 -37.15 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.727 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.42 -34.39 77.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.848 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 25.7 p -67.07 -64.72 0.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.686 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -46.96 -22.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.839 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -67.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.357 -178.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -65.74 -8.87 23.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.098 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.412 ' O ' ' OE1' ' B' ' 93' ' ' GLN . 1.3 tm0? -85.47 -31.33 22.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.877 0.37 . . . . 1.0 110.208 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.18 -52.03 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.261 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 9.9 tp -53.38 -26.93 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.008 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -68.86 -42.19 77.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.036 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.447 ' HE2' ' HD1' ' A' ' 67' ' ' HIS . 18.4 t60 -70.84 -26.07 63.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.64 -179.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.54 -33.78 60.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.762 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.812 -179.305 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.736 0.303 . . . . 1.0 110.723 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -68.12 -61.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.259 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.4 p -55.36 -32.97 63.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.406 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.19 -17.08 62.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.252 0.549 . . . . 1.0 109.755 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -80.86 -14.68 57.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.869 -0.789 . . . . 1.0 108.869 174.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -96.55 -32.15 12.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.075 -0.966 . . . . 1.0 111.851 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.7 m -73.26 -12.81 15.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.258 -0.577 . . . . 1.0 110.562 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.9 m -88.75 -70.12 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.564 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -46.46 -31.55 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.489 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 20' ' ' PHE . 17.8 tt -51.78 -42.32 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.345 . . . . 1.0 110.703 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.413 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 59.2 m-85 -73.42 -49.52 26.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.803 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -46.66 -25.83 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.922 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.22 68.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.917 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -85.91 -6.76 59.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.735 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.58 -64.39 1.62 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.405 -0.678 . . . . 1.0 111.405 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -44.6 110.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.877 0.37 . . . . 1.0 110.963 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -63.26 -18.85 64.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.938 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -77.79 -38.25 47.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.79 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -72.77 -50.71 22.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.991 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.2 tp -54.98 -28.76 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.581 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -68.69 -28.49 66.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.693 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.9 mt -75.4 -33.05 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.415 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.6 mtt -65.06 -35.41 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.571 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.07 -39.07 88.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.661 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.66 -59.18 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.384 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 41.2 mt -54.27 -20.39 6.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.728 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -70.02 -43.52 71.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.465 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.0 t -76.55 -29.44 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.537 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.0 p -173.45 130.87 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.826 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.487 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -72.13 155.16 40.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.496 179.162 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.36 -177.59 6.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.841 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 m -95.37 155.85 16.57 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.197 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -49.02 -42.26 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.398 -0.364 . . . . 1.0 111.304 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.99 -42.38 94.75 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 121.198 -0.525 . . . . 1.0 112.368 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -70.08 -34.76 73.58 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 122.636 -0.332 . . . . 1.0 111.746 -175.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.484 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 31.0 pt -73.35 -13.21 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.276 -0.57 . . . . 1.0 109.981 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 50' ' ' ASN . 14.9 t -57.65 -15.29 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.455 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -60.32 -10.83 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.023 0.439 . . . . 1.0 110.167 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 45' ' ' ILE . 2.8 mp0 -96.01 -57.17 2.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.534 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' A' ' 49' ' ' LEU . 9.4 mp -82.58 -38.06 24.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.668 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' SER . 7.5 p30 43.87 90.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.633 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.432 ' CG ' ' H ' ' A' ' 52' ' ' SER . 4.4 tp -169.66 -143.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.931 -0.577 . . . . 1.0 109.706 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.678 ' HG ' ' HG ' ' A' ' 54' ' ' SER . 12.6 t -73.64 134.75 43.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 1.0 110.395 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -74.68 -18.76 60.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.748 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.678 ' HG ' ' HG ' ' A' ' 52' ' ' SER . 76.9 p -80.77 -25.06 38.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.474 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -74.04 -44.45 54.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.525 . . . . 1.0 111.027 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.4 p -70.75 -35.24 59.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.821 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.8 p -70.87 -32.8 69.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.84 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 54' ' ' SER . 36.9 m170 -65.63 -49.52 68.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.781 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.6 -20.97 63.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.807 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.68 -35.97 82.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.844 0.354 . . . . 1.0 110.055 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -71.13 -37.34 72.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.407 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.22 -51.37 44.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.242 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.99 -19.84 65.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.255 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -69.76 -14.59 62.85 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.529 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 67' ' ' HIS . 18.5 p -73.7 -52.62 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.535 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.2 m -68.38 6.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.417 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.51 ' H ' ' C ' ' A' ' 65' ' ' SER . 54.6 t60 58.57 13.99 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.024 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.7 tp -74.52 -11.81 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 1.0 110.421 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -138.61 158.23 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.28 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -143.96 135.33 25.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.16 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.89 143.99 31.77 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.74 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -127.56 143.82 51.13 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.146 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -90.22 124.87 35.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.6 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.42 ' O ' ' OE1' ' A' ' 74' ' ' GLN . 11.0 tm0? -148.69 89.18 1.67 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.266 -0.425 . . . . 1.0 109.86 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.61 176.45 42.68 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.319 -1.112 . . . . 1.0 110.319 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -49.62 -19.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 1.0 110.446 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 m -91.13 134.39 34.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.749 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.526 ' O ' ' CE2' ' A' ' 80' ' ' TYR . 24.9 mtt -95.66 96.09 8.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.318 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.4 mt -80.19 149.95 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.561 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.526 ' CE2' ' O ' ' A' ' 78' ' ' MET . 55.4 m-85 -130.55 149.54 52.16 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.07 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 82' ' ' LEU . 92.0 p -159.22 -172.17 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 1.0 110.705 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 81' ' ' SER . 14.5 mt -59.74 -145.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.543 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 40.4 p30 -173.52 -18.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.863 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 83' ' ' ASP . 6.9 m-20 -160.96 149.91 16.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.888 0.375 . . . . 1.0 110.522 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 12.5 pt -81.57 63.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.655 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 37.5 m80 -149.35 -25.73 0.28 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.636 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.39 -44.85 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.817 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.53 -52.39 64.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.752 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 93' ' ' GLN . 11.2 p -54.99 -43.85 73.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.83 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 9.9 ttt -46.43 -47.91 18.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.015 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.3 mt -66.05 -53.66 35.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.832 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -70.68 -16.26 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.124 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 89' ' ' THR . 41.0 tt0 -83.14 -32.2 26.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.92 0.391 . . . . 1.0 110.623 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.41 -55.67 7.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.692 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.0 tt -58.22 -25.79 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.692 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -67.31 -31.61 72.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.843 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -72.45 -60.25 2.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.775 -0.37 . . . . 1.0 110.692 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.33 -77.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.852 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.001 -178.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.531 ' HG1' ' N ' ' B' ' 11' ' ' ASP . 31.1 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.865 0.364 . . . . 1.0 110.791 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.531 ' N ' ' HG1' ' B' ' 10' ' ' THR . 17.6 p-10 -72.97 -34.49 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.775 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -55.65 -67.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.766 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' B' ' 13' ' ' LEU . 8.3 mp -45.38 -35.09 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.439 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.17 -46.69 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.039 0.447 . . . . 1.0 110.636 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 51.5 ttm-85 -64.15 -30.83 71.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.859 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 83.5 t -67.33 -63.11 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.425 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -48.65 -36.1 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.53 -0.468 . . . . 1.0 110.666 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -59.47 -24.15 63.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.792 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 84.2 mt -62.89 -56.95 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.727 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -53.51 -54.03 42.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.671 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -45.1 -37.79 4.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.936 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.56 -31.51 68.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.666 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 25' ' ' ASP . 7.1 mp -92.23 -17.85 24.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 1.0 109.959 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.11 75.29 0.01 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.18 -0.768 . . . . 1.0 111.18 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' B' ' 23' ' ' LEU . 11.2 m-20 -167.08 164.45 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -88.18 -71.57 0.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.919 0.39 . . . . 1.0 111.968 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -66.39 -22.02 66.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 1.0 112.419 -173.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -73.3 -33.19 65.06 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.557 -0.457 . . . . 1.0 110.985 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' B' ' 25' ' ' ASP . 82.6 mt -71.22 -33.72 51.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.964 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -64.82 -29.93 70.91 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.699 -0.4 . . . . 1.0 110.582 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 89.1 mt -74.78 -53.5 16.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.596 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 54.2 mtt -47.49 -42.31 22.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.665 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -55.66 -56.42 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.692 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -38.44 87.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.103 0.477 . . . . 1.0 110.398 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.08 -62.47 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.637 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -48.91 -64.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.753 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 22.8 m -50.89 -22.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 1.0 112.012 -175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 24.4 t -166.22 112.55 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.26 -0.576 . . . . 1.0 111.693 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.56 147.83 40.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.444 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.72 178.23 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.568 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.1 t -96.63 157.51 15.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.136 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 88.8 t -51.07 -50.18 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.805 0.336 . . . . 1.0 110.642 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.07 -43.45 95.15 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.419 -0.673 . . . . 1.0 111.419 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -67.0 -32.43 73.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 1.0 110.883 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.406 HG23 HD11 ' B' ' 45' ' ' ILE . 94.5 mt -70.13 -23.38 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.144 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.524 ' O ' ' N ' ' B' ' 50' ' ' ASN . 27.4 t -48.19 -48.14 34.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 1.0 110.504 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -51.25 -19.33 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.927 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -90.74 -22.23 21.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.623 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 tp -160.02 55.8 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.204 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 46' ' ' SER . 3.1 m120 -43.27 106.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.317 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' B' ' 52' ' ' SER . 2.0 tt -168.38 108.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.361 178.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.437 ' C ' ' O ' ' B' ' 51' ' ' LEU . 4.6 m 5.14 111.74 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.72 1.262 . . . . 1.0 113.981 -178.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.53 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 20.2 mp0 -44.48 -41.98 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.937 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 34.1 t -44.34 -38.97 4.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 1.0 110.908 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -70.02 -42.19 73.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 57.0 t -71.93 -38.3 64.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.033 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -57.92 -31.95 67.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.495 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -78.08 -52.07 9.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.246 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -55.79 -53.27 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.728 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 tp -52.43 -35.24 51.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 1.0 110.836 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -57.83 -27.71 63.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.694 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 27.4 tp -81.89 -45.12 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.694 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.55 -37.43 83.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.663 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -75.35 -18.8 59.9 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.336 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.523 ' C ' ' H ' ' B' ' 67' ' ' HIS . 8.1 t -65.81 -54.21 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.566 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 p -63.1 -0.49 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.208 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' B' ' 65' ' ' SER . 6.7 t-160 71.48 13.7 6.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.668 -0.697 . . . . 1.0 111.287 177.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 39.3 tp -65.52 -14.49 61.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.122 0.486 . . . . 1.0 109.945 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.41 160.12 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.866 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -140.63 120.95 13.97 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.872 0.367 . . . . 1.0 110.551 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.75 162.06 13.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.027 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -144.69 159.53 42.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.377 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -80.78 99.83 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.704 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -121.0 106.34 11.5 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.877 -0.416 . . . . 1.0 109.877 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 66.15 -166.82 36.59 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.195 -1.162 . . . . 1.0 110.195 -177.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -80.02 29.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.786 0.327 . . . . 1.0 110.361 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' SER . . . . . 0.451 ' H ' ' C ' ' B' ' 75' ' ' GLY . 19.6 m -139.55 152.92 47.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.071 0.462 . . . . 1.0 110.792 -178.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 7.7 ttt -94.67 120.56 35.09 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.442 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 18.7 tt -109.12 138.97 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.326 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -107.44 135.77 48.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.529 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.664 ' HG ' ' H ' ' B' ' 82' ' ' LEU . 8.4 t -161.82 -166.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.366 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.664 ' H ' ' HG ' ' B' ' 81' ' ' SER . 0.8 OUTLIER -174.04 177.03 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.514 179.448 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . 0.455 ' O ' ' CB ' ' B' ' 84' ' ' ASP . 8.7 m-20 -66.26 -83.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.289 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' B' ' 83' ' ' ASP . 0.6 OUTLIER 97.09 -165.66 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 O-C-N 124.476 1.11 . . . . 1.0 110.429 -179.533 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 81.52 -38.95 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 109.268 -0.641 . . . . 1.0 109.268 -177.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.41 ' O ' ' OG1' ' B' ' 89' ' ' THR . 33.0 m170 -92.18 -88.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.317 178.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' B' ' 90' ' ' MET . 34.6 m -46.4 -42.57 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.092 -178.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.43 -40.0 5.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 1.0 110.828 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 86' ' ' HIS . 68.2 p -68.15 -36.72 80.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.423 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' MET . . . . . 0.428 ' N ' ' O ' ' B' ' 87' ' ' VAL . 34.4 ttp -47.14 -35.15 6.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.394 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.8 mt -70.48 -52.8 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.406 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -56.12 18.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.979 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -43.05 -30.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.189 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.1 -62.71 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.886 -0.326 . . . . 1.0 110.45 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.44 -20.73 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.409 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . 0.405 ' HD1' ' C ' ' B' ' 96' ' ' HIS . 1.2 t-80 -68.87 -54.42 15.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.763 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -67.34 -10.35 50.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.46 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.45 -35.36 25.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.528 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.283 -179.69 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.823 0.344 . . . . 1.0 110.676 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -70.68 -59.01 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.554 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.2 m -62.17 -28.47 69.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.6 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.08 -67.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.376 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.36 -19.82 65.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.408 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -58.3 -33.07 69.06 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.639 -0.424 . . . . 1.0 110.492 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.41 -38.8 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.728 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.557 ' HG1' ' N ' ' A' ' 18' ' ' GLU . 16.0 p -68.87 -38.82 79.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.552 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.557 ' N ' ' HG1' ' A' ' 17' ' ' THR . 62.4 mt-10 -56.51 -23.73 41.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.704 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.4 mt -71.0 -42.41 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.756 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -70.67 -57.78 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.899 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -49.3 -41.47 38.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.702 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.22 -27.31 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.619 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 24' ' ' GLY . 35.5 mt -71.56 -76.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.23 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . 56.02 157.54 0.01 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.3 -0.72 . . . . 1.0 111.3 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 24' ' ' GLY . 12.3 m-20 59.14 128.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 1.0 111.011 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 27' ' ' ASN . 42.8 p90 -75.88 -29.86 58.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.489 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.454 HD22 ' CD2' ' A' ' 49' ' ' LEU . 37.7 t-20 -63.57 -40.74 97.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.621 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -65.0 -43.1 93.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.821 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.16 -20.06 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.795 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -73.59 -31.46 63.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 1.0 110.308 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.22 -38.55 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.139 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.9 tpt -61.8 -31.57 71.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.511 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -60.13 -44.37 94.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.68 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.2 tp -59.23 -51.06 71.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.516 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 mt -46.28 -37.28 7.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.72 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -61.11 -62.52 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 1.0 110.847 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -49.72 -48.93 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.809 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 t -166.49 152.27 8.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 23.7 mp0 -53.88 168.35 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.524 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.29 132.19 8.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.67 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.4 t -76.34 171.31 14.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.531 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.44 ' CG1' ' H ' ' A' ' 43' ' ' GLY . 7.0 p -58.27 -56.61 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.778 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' H ' ' CG1' ' A' ' 42' ' ' VAL . . . -66.28 -41.74 94.5 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.168 -0.773 . . . . 1.0 111.168 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.457 ' O ' ' ND1' ' A' ' 44' ' ' HIS . 19.4 t-80 -47.74 -29.13 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.677 0.275 . . . . 1.0 110.778 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.5 mt -75.07 -33.95 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.63 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' ASN . 8.6 t -44.16 -55.01 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 1.0 111.031 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -67.8 -22.72 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.102 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -65.85 -26.18 67.54 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.577 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.454 ' CD2' HD22 ' A' ' 27' ' ' ASN . 6.1 tp -164.59 48.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.742 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.525 ' CG ' ' H ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER 54.02 -141.78 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.036 178.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.525 ' H ' ' CG ' ' A' ' 50' ' ' ASN . 10.1 mp 53.79 -175.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 -177.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.3 p -128.85 -165.1 1.46 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.578 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -73.76 -38.66 64.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.861 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.3 p -48.66 -43.46 36.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.866 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -66.97 -42.52 84.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.928 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.2 t -67.7 -42.61 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.673 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.9 p -57.1 -46.08 82.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.371 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -65.99 -30.38 70.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.695 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 61' ' ' LYS . 32.7 tt0 -70.67 -69.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.567 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 54.5 mt -44.52 -16.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.902 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 59' ' ' GLN . 5.9 tppt? -74.87 -45.3 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.687 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.86 -40.72 95.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.636 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 3.2 mm? -66.5 -35.61 80.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -49.43 -44.88 45.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.594 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 t -54.31 -51.33 65.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.533 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.6 t -75.44 -15.46 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.397 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.0 t60 59.18 26.98 15.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.769 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.46 -13.55 62.13 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.754 -0.462 . . . . 1.0 109.754 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.3 m -131.63 146.54 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.246 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 81' ' ' SER . 34.7 ttpt -117.77 158.16 25.26 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.315 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -162.27 151.48 15.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.565 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -147.18 128.56 14.89 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.811 -0.44 . . . . 1.0 109.811 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -61.18 152.59 28.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.229 0.538 . . . . 1.0 111.826 -175.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -149.8 83.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.206 -0.907 . . . . 1.0 109.446 178.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.19 -157.64 37.18 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.882 -1.287 . . . . 1.0 109.882 -176.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -71.28 -9.73 58.59 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.791 -0.363 . . . . 1.0 110.673 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -93.04 121.93 34.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.788 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.7 mtt -85.81 91.39 8.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.144 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.1 tp -81.1 134.86 26.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.056 0.455 . . . . 1.0 110.851 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -115.23 149.27 38.01 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.158 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 70' ' ' LYS . 51.8 p -153.87 -178.77 7.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.554 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.65 175.63 7.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.154 -0.475 . . . . 1.0 109.863 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 17.6 t70 -71.45 -97.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.67 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 83' ' ' ASP . 16.4 m-20 -142.82 -135.44 0.1 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.408 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.518 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 24.3 mt -88.89 85.03 2.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.725 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 41.9 m80 -160.3 -40.0 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.504 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.0 m -83.32 -29.89 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.535 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.76 -58.53 7.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.686 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.47 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 2.8 t -61.05 -29.35 69.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.636 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.3 tpp -49.07 -65.55 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.744 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.412 ' CD1' ' N ' ' A' ' 91' ' ' LEU . 10.2 mp -53.34 -39.63 64.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.488 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -66.25 -71.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.745 -0.382 . . . . 1.0 110.868 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.594 HE22 ' NE2' ' B' ' 93' ' ' GLN . 34.5 mt-30 -42.18 -26.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.43 -178.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.07 -64.09 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.111 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.5 tt -69.1 -9.89 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.872 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -68.63 -49.79 56.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.292 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -79.64 -8.89 59.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.775 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.68 -13.85 61.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.874 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 31.0 p30 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.564 -179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 41.1 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.875 0.369 . . . . 1.0 110.628 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.74 -45.89 34.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.487 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 85.0 m -68.35 -54.84 14.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.479 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.7 -29.51 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.222 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.419 ' O ' ' OG1' ' B' ' 17' ' ' THR . 30.8 tt0 -65.39 -45.14 85.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.41 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -70.45 -38.67 74.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.181 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 40.6 t -64.08 -14.31 15.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.498 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 37.0 p -91.21 -34.14 15.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 1.0 110.669 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -72.5 -25.64 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 1.0 111.253 -178.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.462 ' CG2' ' N ' ' B' ' 20' ' ' PHE . 18.7 tt -57.19 -45.32 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.815 -0.354 . . . . 1.0 110.745 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.462 ' N ' ' CG2' ' B' ' 19' ' ' ILE . 89.0 m-85 -71.85 -54.61 9.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.983 -178.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -47.21 -30.85 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.529 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.429 ' O ' ' NH1' ' B' ' 28' ' ' ARG . . . -51.72 -30.36 22.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.741 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.529 ' CD1' ' N ' ' B' ' 23' ' ' LEU . 7.0 mp -75.9 -65.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.163 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.33 -96.47 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.51 148.99 8.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.334 . . . . 1.0 110.852 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -83.0 -24.28 32.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.64 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.433 ' C ' HD21 ' B' ' 27' ' ' ASN . 0.4 OUTLIER -56.62 -34.37 67.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.8 -179.55 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' B' ' 22' ' ' ALA . 85.0 mtt180 -69.89 -27.7 65.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.575 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.4 mt -74.42 -31.91 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.879 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -64.85 -30.8 71.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 1.0 110.721 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.13 -47.25 79.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 15.5 ttt -48.89 -40.95 31.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.705 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.429 ' O ' ' OG ' ' B' ' 36' ' ' SER . 47.8 mt-10 -65.29 -46.32 80.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.612 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.35 -46.09 69.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.448 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 31.0 mt -76.58 -5.28 47.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.969 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 33' ' ' GLU . 13.1 p -84.91 -49.78 8.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.75 0.309 . . . . 1.0 110.631 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.427 ' O ' ' OG ' ' B' ' 38' ' ' SER . 35.2 m -69.02 -32.52 54.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.83 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 40.6 m -170.8 159.16 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.683 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -69.47 168.28 14.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.258 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.42 136.42 11.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.772 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.7 t -77.95 -159.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.641 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 76.1 t -77.03 -64.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.566 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.01 -40.44 88.69 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.162 -0.542 . . . . 1.0 112.025 -176.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -45.69 -23.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.714 -0.286 . . . . 1.0 111.548 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 8.7 tt -72.51 -29.93 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 1.0 110.664 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.514 ' O ' ' N ' ' B' ' 50' ' ' ASN . 53.3 p -45.98 -48.55 16.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.592 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -51.07 -27.06 7.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.535 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -96.31 -58.51 2.05 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.384 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 10.1 mp -106.89 54.2 0.68 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.151 -0.477 . . . . 1.0 109.735 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' B' ' 46' ' ' SER . 4.4 t-20 -41.35 107.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 1.0 111.285 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 tp -170.4 -154.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.949 -0.569 . . . . 1.0 109.502 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -75.24 132.48 41.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 1.0 110.362 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -69.52 -17.28 63.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.62 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 12.6 t -81.26 -24.97 36.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.632 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.451 HD21 ' N ' ' B' ' 55' ' ' ASN . 1.3 m120 -67.16 -43.2 82.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.656 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 t -71.75 -36.42 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.615 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 45.8 p -61.45 -34.7 75.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.363 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.12 -40.79 51.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.572 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -69.92 -46.74 64.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.575 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 tp -52.78 -33.8 50.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.558 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -69.24 -36.33 77.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.28 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.04 -55.26 36.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 1.0 109.916 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.3 mt -51.43 -22.32 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.065 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.423 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 16.7 tptm -71.41 -28.48 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.754 -0.379 . . . . 1.0 110.408 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.8 m -48.21 -58.72 4.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.344 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -72.59 -5.63 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.16 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' B' ' 64' ' ' LYS . 28.5 m-70 60.54 21.76 11.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.368 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tp -54.38 -13.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.548 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 m -143.82 169.42 10.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.074 0.464 . . . . 1.0 110.669 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -127.93 175.25 8.51 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.747 -0.66 . . . . 1.0 109.802 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.02 134.32 26.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.536 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -128.32 143.5 51.02 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.163 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 55.6 ttp85 -93.02 146.21 23.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.751 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -151.66 93.11 1.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.266 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.3 -113.66 3.68 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.573 -1.011 . . . . 1.0 110.573 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -113.88 -27.31 7.8 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.845 0.355 . . . . 1.0 110.251 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -84.87 143.14 29.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.661 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.51 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -94.26 120.73 34.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.367 179.12 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.408 HG23 HD13 ' B' ' 79' ' ' ILE . 17.6 mm -100.11 149.51 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.408 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -137.57 154.02 49.86 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.401 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.7 t -159.56 -172.69 3.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.807 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -68.09 -160.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.006 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -171.68 122.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.666 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 t0 75.96 133.31 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.459 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 11.5 pt -85.02 66.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.385 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' B' ' 85' ' ' ILE . 34.2 m80 -151.63 -33.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.236 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' B' ' 88' ' ' ALA . 10.1 m -67.5 -45.17 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.664 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.449 ' N ' ' CG2' ' B' ' 87' ' ' VAL . . . -57.11 -39.54 75.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.962 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.501 ' HG1' ' H ' ' B' ' 90' ' ' MET . 73.9 p -66.46 -46.99 74.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.932 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' MET . . . . . 0.501 ' H ' ' HG1' ' B' ' 89' ' ' THR . 40.4 ttm -44.58 -47.41 10.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.949 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.06 -47.53 85.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.682 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -68.93 -65.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.798 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.594 ' NE2' HE22 ' A' ' 93' ' ' GLN . 24.8 mt-30 -41.59 -30.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.297 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.67 -67.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.72 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 pt -65.69 -9.35 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.43 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -71.15 -31.83 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.016 0.436 . . . . 1.0 109.917 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.537 ' C ' ' H ' ' B' ' 99' ' ' ASN . 24.3 t60 -67.89 -53.59 25.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.908 -0.587 . . . . 1.0 109.944 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.04 23.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.095 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.537 ' H ' ' C ' ' B' ' 97' ' ' HIS . 10.3 t-20 . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 120.87 0.367 . . . . 1.0 110.485 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.783 0.325 . . . . 1.0 110.719 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -64.03 -43.98 93.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.502 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.555 ' HG1' ' N ' ' A' ' 13' ' ' LEU . 61.5 p -66.67 -61.21 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.587 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.555 ' N ' ' HG1' ' A' ' 12' ' ' THR . 40.7 tp -40.56 -21.37 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.004 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 12' ' ' THR . 31.5 tt0 -76.12 -54.91 6.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.73 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -64.12 -9.9 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.846 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.76 -28.69 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.741 -0.384 . . . . 1.0 111.086 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -86.86 -29.13 22.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.727 0.299 . . . . 1.0 110.736 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -71.22 -32.63 69.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.38 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 pt -64.03 -32.44 57.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.875 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' LEU . 60.8 m-85 -77.21 -53.68 7.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 1.0 110.528 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -47.94 -25.13 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.382 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.05 -34.34 29.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.432 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 24' ' ' GLY . 38.8 tp -65.77 -26.49 67.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.187 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -55.35 -122.65 0.01 OUTLIER Glycine 0 CA--C 1.526 0.777 0 CA-C-N 115.854 -0.612 . . . . 1.0 111.603 -177.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' GLY . 3.3 m-20 46.94 93.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.36 . . . . 1.0 110.292 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -50.33 -20.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.8 -178.083 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -78.38 -39.49 39.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.835 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -77.29 -44.53 29.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.336 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 30' ' ' ARG . 20.4 tt -52.89 -44.87 50.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.812 -0.355 . . . . 1.0 111.251 -176.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.526 ' NH2' ' O ' ' A' ' 48' ' ' GLN . 1.7 tmm_? -72.1 -32.64 67.19 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.513 -0.475 . . . . 1.0 110.749 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.5 mt -69.09 -28.79 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.9 tpt -62.14 -31.71 72.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.301 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.34 -36.65 84.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.41 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 tp -64.81 -60.91 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.366 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.3 mt -43.09 -39.25 2.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.94 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -54.16 -53.2 56.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 1.0 110.5 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.0 t -54.6 -45.93 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.384 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.6 p -173.97 137.42 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.475 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -44.69 161.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.847 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.89 136.41 12.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.432 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.1 m -75.68 173.23 11.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.544 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.96 -53.34 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.944 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.07 -36.92 93.07 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.349 -0.701 . . . . 1.0 111.349 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -64.44 -25.65 68.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 1.0 110.849 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 91.0 mt -81.3 -26.85 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.948 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 50' ' ' ASN . 37.9 t -56.91 -11.08 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.885 -0.326 . . . . 1.0 111.217 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -89.57 -11.47 42.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 1.0 110.333 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.526 ' O ' ' NH2' ' A' ' 30' ' ' ARG . 32.3 mm-40 -74.68 -55.55 5.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.973 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 tt -161.17 -34.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 1.0 110.574 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 46' ' ' SER . 6.1 m120 -81.13 141.18 34.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.982 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 2.9 mm? -94.13 -60.48 1.73 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 1.0 109.961 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 t -74.09 139.89 44.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.871 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -82.23 -36.95 26.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.468 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.3 t -56.41 -30.98 63.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.479 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -66.96 -42.76 84.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.383 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 t -71.67 -38.65 67.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.577 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.2 m -63.64 -37.18 86.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.671 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -76.03 -46.4 29.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.651 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -67.93 -46.85 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.832 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 tp -55.67 -32.97 63.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.481 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -69.28 -30.93 69.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.819 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.2 tp -68.79 -33.89 74.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.246 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.1 mt -76.04 -25.46 55.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.34 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -52.72 -37.09 58.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.28 -0.418 . . . . 1.0 109.959 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.525 ' C ' ' H ' ' A' ' 67' ' ' HIS . 69.5 m -54.22 -52.62 60.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.142 178.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.526 ' O ' ' CG ' ' A' ' 67' ' ' HIS . 2.8 t -68.13 4.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.225 0.536 . . . . 1.0 109.698 177.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 66' ' ' VAL . 20.0 p80 41.89 27.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.515 -0.766 . . . . 1.0 111.513 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.12 -16.97 8.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.086 0.47 . . . . 1.0 109.859 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -147.99 178.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.345 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -151.03 129.27 11.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.452 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.54 158.89 15.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.222 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -143.11 156.85 44.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.358 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -89.42 141.17 28.8 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.177 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -152.96 122.88 6.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.898 0.38 . . . . 1.0 110.314 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.77 -136.65 44.1 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.757 -0.937 . . . . 1.0 110.757 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.447 ' N ' ' CD ' ' A' ' 76' ' ' GLN . 3.4 mp0 -99.88 19.71 15.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.729 0.3 . . . . 1.0 110.737 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.7 p -147.6 170.64 17.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.045 0.45 . . . . 1.0 110.901 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.6 mtt -118.83 149.68 41.12 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.76 -0.654 . . . . 1.0 110.102 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.7 pt -137.73 161.56 33.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.875 0.369 . . . . 1.0 110.372 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 21.2 m-85 -125.59 158.09 35.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.488 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.0 m -158.31 -174.56 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.27 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 84' ' ' ASP . 3.2 pp -95.7 161.31 14.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.141 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 33.6 t70 -58.65 -120.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.428 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.461 ' H ' ' CG ' ' A' ' 83' ' ' ASP . 12.0 m-20 -85.22 -139.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.327 . . . . 1.0 110.347 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.0 mt -108.21 -21.32 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.046 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -49.53 -35.45 20.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.736 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.7 m -65.73 -47.23 86.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.401 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.57 -23.19 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.383 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.3 m -78.49 -33.84 47.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.552 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 mmt -59.92 -31.23 69.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.477 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.76 -52.27 15.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.462 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.87 -62.8 1.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.596 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -41.9 -34.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.391 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.95 -64.44 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 1.0 110.884 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.5 pt -65.66 -7.27 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.581 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -77.39 -45.46 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.44 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 97' ' ' HIS . 23.0 t60 -78.52 -14.7 59.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.343 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.25 -5.16 53.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.645 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.978 0.418 . . . . 1.0 110.922 -179.787 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.82 0.343 . . . . 1.0 110.671 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -64.73 -64.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.819 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.1 t -72.53 -44.64 61.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.87 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -45.47 -25.14 0.39 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.993 -0.373 . . . . 1.0 109.993 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.432 ' OE2' ' NH1' ' B' ' 15' ' ' ARG . 31.2 tt0 -75.24 -55.25 5.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.667 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.442 ' CD ' ' N ' ' B' ' 15' ' ' ARG . 10.3 mpt_? -60.61 -40.03 90.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.816 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -51.78 -17.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.027 -0.269 . . . . 1.0 111.194 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 52.4 p -91.29 -34.63 14.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.695 0.283 . . . . 1.0 110.881 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -74.61 -19.25 60.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.654 -176.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 pt -75.7 -30.16 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.948 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -77.93 -55.35 5.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 1.0 110.465 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -47.74 -32.15 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.951 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.48 -25.06 68.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 1.0 110.649 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.0 mt -93.35 9.44 36.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.126 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.02 -79.79 0.07 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.345 -0.702 . . . . 1.0 111.345 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.69 132.92 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 1.0 111.275 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -74.01 -29.38 61.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.808 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -42.72 76.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.551 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.519 HH12 ' CG ' ' B' ' 59' ' ' GLN . 92.8 mtt-85 -65.55 -35.89 82.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.006 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.95 -27.03 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.08 -177.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -73.13 -35.66 66.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.903 0.382 . . . . 1.0 110.253 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 75.5 mt -66.22 -49.88 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.593 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 11.4 mmt -54.04 -29.58 44.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.593 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.3 -47.59 76.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.355 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 32.0 tp -50.49 -36.5 34.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.052 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 22.4 mt -63.39 -37.85 88.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.822 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -56.84 -32.13 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.713 0.292 . . . . 1.0 110.892 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 20.2 t -76.2 -48.31 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.818 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -179.91 146.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.574 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 5.0 mp0 -49.63 159.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.529 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.73 146.15 24.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.429 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 33.8 t -79.53 162.88 25.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.548 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 44.1 t -52.03 -53.05 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.51 -28.35 73.51 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.405 -0.678 . . . . 1.0 111.405 -178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -71.55 -37.69 71.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 1.0 110.945 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.412 HD13 HG23 ' B' ' 45' ' ' ILE . 95.7 mt -68.28 -15.42 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.502 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -61.48 -33.54 73.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.788 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -60.13 -11.62 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.546 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -89.06 -57.52 2.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.887 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -82.89 -29.48 29.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.842 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 11.3 m120 59.52 87.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.387 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.416 ' CG ' ' H ' ' B' ' 52' ' ' SER . 4.3 tp -174.11 -146.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.416 ' H ' ' CG ' ' B' ' 51' ' ' LEU . 67.6 m -80.85 136.56 36.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 1.0 110.336 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -61.53 -37.82 85.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.716 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 62.8 m -62.6 -16.63 57.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.721 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -64.57 -44.29 91.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.757 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 95.9 t -77.13 -34.65 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.816 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.3 p -60.21 -42.69 95.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.46 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -71.97 -39.65 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.728 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.519 ' CG ' HH12 ' B' ' 28' ' ' ARG . 12.4 tt0 -75.1 -27.46 59.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 1.0 111.051 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.39 -36.44 82.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.056 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -77.17 -34.24 56.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.637 -177.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.33 -33.46 71.15 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.409 -0.517 . . . . 1.0 110.37 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 36.0 mt -75.59 -19.88 58.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 1.0 110.114 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -69.06 -12.29 61.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.402 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.515 ' C ' ' H ' ' B' ' 67' ' ' HIS . 75.0 m -77.14 -46.74 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.118 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 5.3 m -72.38 15.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.85 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.515 ' H ' ' C ' ' B' ' 65' ' ' SER . 4.4 m-70 72.19 9.79 5.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 1.0 112.114 176.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' B' ' 69' ' ' VAL . 9.7 mp -100.95 160.16 14.6 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 108.747 -0.834 . . . . 1.0 108.747 174.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' B' ' 68' ' ' LEU . 15.3 m 55.89 140.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 O-C-N 123.82 0.7 . . . . 1.0 111.802 -175.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -156.83 139.47 15.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.549 -0.75 . . . . 1.0 109.481 -178.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.91 158.37 16.33 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.152 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -136.79 155.61 49.59 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.445 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -91.3 117.47 29.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.492 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -140.18 100.55 3.93 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.221 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . 0.484 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 54.48 58.55 12.69 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.149 -0.781 . . . . 1.0 111.149 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 52.79 9.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.689 0.281 . . . . 1.0 110.941 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' SER . . . . . 0.484 ' H ' ' C ' ' B' ' 75' ' ' GLY . 4.9 m -118.47 120.0 36.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.275 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.577 ' N ' ' SD ' ' B' ' 78' ' ' MET . 2.0 mpt? -83.4 120.01 25.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.024 -179.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.41 HD12 HG21 ' B' ' 79' ' ' ILE . 21.5 mm -103.99 127.86 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.111 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' B' ' 81' ' ' SER . 2.5 t80 -105.64 141.1 37.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.999 0.428 . . . . 1.0 110.031 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.544 ' N ' ' CD1' ' B' ' 80' ' ' TYR . 16.3 p -159.8 -172.06 3.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.216 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 16.0 mt -57.71 -161.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.579 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -122.98 -31.38 3.64 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.249 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.454 ' CG ' ' H ' ' B' ' 85' ' ' ILE . 33.2 t0 -172.81 178.79 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.407 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.454 ' H ' ' CG ' ' B' ' 84' ' ' ASP . 15.5 tt -67.99 -16.07 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.677 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -67.93 -30.29 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.844 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 63.3 t -80.79 -37.75 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.036 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.07 94.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.97 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.419 ' O ' ' N ' ' B' ' 93' ' ' GLN . 72.5 p -73.62 -46.84 44.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.941 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 23.6 ttt -45.15 -43.15 9.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.963 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 28.4 tp -67.21 -41.62 85.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.998 0.428 . . . . 1.0 110.371 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -79.26 -15.39 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.061 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 89' ' ' THR . 7.6 tt0 -84.25 -31.59 24.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.802 0.334 . . . . 1.0 110.382 179.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.75 -49.78 49.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.452 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 6.9 mm -61.9 -19.33 21.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.078 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -68.97 -51.89 34.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.264 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -72.2 -13.88 61.65 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.824 -0.35 . . . . 1.0 110.908 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.36 -40.81 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.263 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.9 t30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.766 -179.899 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.8 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.766 0.317 . . . . 1.0 110.559 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.67 -46.22 59.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.736 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -62.81 -60.76 3.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.475 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.8 tp -47.36 -23.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.48 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -84.01 -50.97 7.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.619 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.472 HH21 ' CE1' ' A' ' 67' ' ' HIS . 64.6 ttt180 -49.79 -55.93 12.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.924 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 31.1 m -44.0 -40.53 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.194 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.5 m -55.95 -42.54 76.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.322 . . . . 1.0 110.746 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.21 -18.9 65.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.878 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.4 mt -85.14 -32.18 7.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.987 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -79.05 -13.05 60.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.125 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -92.62 -30.52 15.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.718 0.294 . . . . 1.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.11 -8.98 13.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.909 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 24' ' ' GLY . 15.7 mt -80.42 -11.92 59.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.838 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -55.72 -162.78 0.02 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 57.68 92.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.907 0.384 . . . . 1.0 110.922 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.431 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 45.3 p90 -52.68 -39.71 62.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' N ' ' CD2' ' A' ' 26' ' ' TYR . 8.4 p30 -58.86 -36.7 75.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.018 -178.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -65.66 -30.92 71.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.6 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.19 -31.78 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.789 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.409 ' NH2' ' CD2' ' A' ' 49' ' ' LEU . 56.1 mtm180 -64.53 -33.21 75.38 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.883 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.531 ' CD1' ' N ' ' A' ' 31' ' ' ILE . 1.6 mp -79.53 -20.7 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.825 -0.435 . . . . 1.0 109.825 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.402 ' O ' ' OG ' ' A' ' 36' ' ' SER . 21.3 ttt -71.08 -39.9 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.641 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.99 -24.93 58.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.45 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.2 tp -71.96 -60.22 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.438 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -54.46 -19.77 6.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.754 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 32' ' ' MET . 14.7 m -68.15 -50.48 54.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.943 0.401 . . . . 1.0 110.55 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.43 ' O ' ' OG ' ' A' ' 38' ' ' SER . 88.7 t -64.35 -40.62 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.748 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 37' ' ' VAL . 27.5 m -172.79 148.95 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.793 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -56.48 165.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.174 178.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.41 150.4 23.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 1.0 110.962 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.458 ' H ' ' CD2' ' A' ' 44' ' ' HIS . 61.7 m -93.07 156.78 16.66 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.868 177.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -45.92 -50.38 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.864 0.364 . . . . 1.0 111.199 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.95 -27.01 59.04 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 116.183 -0.462 . . . . 1.0 112.059 -176.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.458 ' CD2' ' H ' ' A' ' 41' ' ' SER . 3.7 m-70 -70.28 -29.0 65.66 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.787 -0.365 . . . . 1.0 111.309 -177.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.479 ' CD1' ' N ' ' A' ' 45' ' ' ILE . 1.9 mp -66.06 -31.53 54.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.319 -178.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 50' ' ' ASN . 91.1 p -47.46 -38.0 12.82 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.863 -0.335 . . . . 1.0 111.073 -178.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -60.06 -21.26 61.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.834 0.349 . . . . 1.0 110.851 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.463 ' N ' ' CD ' ' A' ' 48' ' ' GLN . 2.8 mp0 -95.74 -57.13 2.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.359 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.409 ' CD2' ' NH2' ' A' ' 30' ' ' ARG . 13.9 mt -88.5 -46.69 8.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.587 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 46' ' ' SER . 17.3 t30 63.86 23.56 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.682 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.2 mt -99.4 -153.74 0.45 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.269 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.0 m -73.89 132.92 42.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -65.38 -35.98 82.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.627 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -57.81 -22.36 47.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.595 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -68.06 -41.55 81.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.498 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.57 -40.43 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.615 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 m -60.63 -57.78 11.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.427 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -54.13 -41.4 68.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.536 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -67.87 -54.58 17.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.7 tp -57.27 -30.4 64.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.335 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -59.87 -34.77 73.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.255 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.88 -57.37 9.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.072 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.0 mt -53.61 -40.22 65.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.523 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -53.19 -31.99 45.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.46 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 67' ' ' HIS . 15.9 t -74.57 -37.06 63.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.427 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.531 ' O ' ' CG ' ' A' ' 67' ' ' HIS . 2.5 t -77.03 15.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.48 . . . . 1.0 110.128 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 66' ' ' VAL . 14.0 p-80 42.84 15.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.68 -0.691 . . . . 1.0 111.65 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -71.08 -12.71 61.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.087 0.47 . . . . 1.0 109.832 -179.62 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.8 m -140.41 161.52 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.715 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -144.97 156.27 43.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.02 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -147.39 175.36 10.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.832 0.349 . . . . 1.0 110.345 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -142.01 155.36 45.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.319 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -87.79 129.93 35.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.62 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 77' ' ' SER . 63.0 mt-30 -147.09 137.81 23.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.154 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 76' ' ' GLN . . . -48.54 141.2 9.69 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.61 -0.996 . . . . 1.0 110.61 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 8.6 tt0 95.71 -54.83 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.5 0.72 . . . . 1.0 110.713 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 74' ' ' GLN . 53.3 m -162.4 -179.07 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.173 0.511 . . . . 1.0 111.476 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.502 ' O ' ' CE1' ' A' ' 80' ' ' TYR . 8.8 ttt -108.54 111.41 23.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.159 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.414 HD13 HG22 ' A' ' 79' ' ' ILE . 13.4 mm -81.47 133.7 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.084 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.502 ' CE1' ' O ' ' A' ' 78' ' ' MET . 48.6 m-85 -110.88 143.19 41.88 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.002 -0.545 . . . . 1.0 109.901 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.514 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 26.5 t -157.33 -173.83 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.869 0.366 . . . . 1.0 110.81 -179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.514 ' N ' ' OG ' ' A' ' 81' ' ' SER . 34.0 mt -75.18 170.42 16.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.63 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -78.76 -55.36 5.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.347 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.527 ' OD2' ' ND1' ' A' ' 86' ' ' HIS . 6.3 p-10 -158.25 -71.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.544 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.5 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 19.4 tt -167.81 -27.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.966 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.527 ' ND1' ' OD2' ' A' ' 84' ' ' ASP . 35.4 m170 -49.84 -28.37 6.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.85 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.0 m -75.17 -39.55 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.74 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.86 -14.93 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.772 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 m -77.5 -63.3 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.852 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.6 tpp -51.71 -33.46 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.941 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.8 tp -59.49 -59.18 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.499 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 94' ' ' ALA . 66.5 mttm -61.75 -61.28 2.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.139 -178.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -40.41 -24.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.647 -177.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -75.37 -64.55 1.04 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.883 0.373 . . . . 1.0 110.912 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.5 mm -55.77 -26.88 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.947 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -79.39 -35.92 40.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.118 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -52.81 -62.1 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.618 -0.433 . . . . 1.0 110.568 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.88 -37.82 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.158 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.618 179.718 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.851 0.358 . . . . 1.0 111.024 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -78.65 -63.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.465 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 71.5 p -57.15 -18.03 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.606 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 16.6 tp -68.83 -58.34 4.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.289 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -52.96 -20.43 3.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.838 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -74.23 -35.81 63.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.991 0.424 . . . . 1.0 109.962 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 91.9 t -65.34 -18.94 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.731 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.9 m -91.24 -29.78 17.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.691 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -77.74 -13.35 59.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.17 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tt -70.67 -39.74 76.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.684 -0.407 . . . . 1.0 110.347 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -75.59 -60.75 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.664 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -47.52 -37.63 12.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.974 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -22.29 62.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.754 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' B' ' 25' ' ' ASP . 6.6 tp -84.9 -6.97 59.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.261 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.93 82.31 0.01 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' B' ' 23' ' ' LEU . 26.7 t0 -171.87 101.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.734 0.302 . . . . 1.0 110.312 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -46.44 -67.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.196 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -41.36 -32.36 0.3 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.676 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -72.58 -31.3 65.12 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.893 -0.323 . . . . 1.0 111.255 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 46.4 mt -66.33 -32.24 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.878 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -73.1 -31.59 64.42 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.837 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 72.8 mt -76.33 -40.59 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.735 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 70.6 mmm -67.22 -18.09 65.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.642 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -76.07 -70.26 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.995 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 pp -52.31 -25.7 10.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.089 -178.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.98 -43.76 52.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.723 -0.473 . . . . 1.0 109.723 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 46.2 p -48.32 -43.07 32.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.337 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 25.3 t -54.0 -64.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.325 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 23.5 p -148.73 173.4 13.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.534 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -76.12 168.04 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.375 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.13 154.75 29.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.47 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 28.0 t -89.15 161.88 16.24 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.094 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 77.4 t -57.63 -57.32 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.87 -0.332 . . . . 1.0 110.393 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.41 -23.64 60.51 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 120.877 -0.677 . . . . 1.0 111.784 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -75.83 -30.99 59.18 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.879 0.326 . . . . 1.0 111.879 -176.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 7.9 tt -58.7 -18.65 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.541 -0.464 . . . . 1.0 110.067 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.527 ' O ' ' N ' ' B' ' 50' ' ' ASN . 79.2 p -58.8 -41.55 87.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.537 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -51.71 -27.14 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.187 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -87.32 -51.95 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.524 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' B' ' 51' ' ' LEU . 28.0 mt -133.47 62.69 1.65 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.189 -0.46 . . . . 1.0 109.933 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 46' ' ' SER . 46.0 t30 -50.38 84.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.311 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' B' ' 49' ' ' LEU . 32.2 mt -135.86 -155.17 0.61 Allowed 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.183 -0.673 . . . . 1.0 109.183 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.8 p -63.79 127.77 32.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.787 0.327 . . . . 1.0 110.291 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.486 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 22.6 mp0 -69.51 -55.71 9.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.895 -178.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.0 p -43.49 -24.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.006 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.11 -42.69 98.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.616 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 15.3 t -75.33 -34.74 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.692 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 27.7 t -56.49 -37.97 71.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.878 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -79.61 -63.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.552 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -46.77 -39.69 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.874 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.04 -34.9 79.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.451 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -61.74 -28.85 69.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.885 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 24.2 tp -64.78 -47.41 78.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.302 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.466 ' CD1' ' N ' ' B' ' 63' ' ' LEU . 9.1 mp -60.28 -35.33 75.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.205 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -77.89 -10.23 59.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.537 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.4 t -66.47 -60.94 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 1.0 111.595 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 57.4 t -66.45 -72.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.679 -0.409 . . . . 1.0 111.398 -175.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' B' ' 67' ' ' HIS . 5.5 t60 -176.6 8.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.863 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 63' ' ' LEU . 9.5 mp -97.96 141.84 30.43 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.85 -0.426 . . . . 1.0 109.85 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.427 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 7.5 t 65.7 151.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 1.0 110.609 -177.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -149.73 175.33 11.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.767 -0.651 . . . . 1.0 109.941 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -152.07 116.82 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.023 0.44 . . . . 1.0 110.704 -179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -112.51 123.8 51.09 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.943 -0.571 . . . . 1.0 109.821 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -59.6 133.47 56.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.448 0.642 . . . . 1.0 111.416 -173.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -153.81 138.73 17.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.987 -1.006 . . . . 1.0 110.148 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.27 -141.25 41.3 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -100.6 23.23 10.66 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.584 0.23 . . . . 1.0 110.925 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 50.2 p -152.08 169.68 21.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.914 0.388 . . . . 1.0 110.957 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 60.5 mtp -103.64 103.43 13.36 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.34 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.544 ' CD1' ' N ' ' B' ' 79' ' ' ILE . 1.5 mp -78.4 131.28 34.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 1.0 109.862 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -106.81 140.57 39.43 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.31 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -148.8 174.47 12.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.582 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.87 179.79 2.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.94 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' B' ' 67' ' ' HIS . 1.2 m-20 -81.48 -50.32 9.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.547 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -158.08 -76.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.701 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 21.2 pt -157.26 -15.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.935 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -57.68 -77.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.429 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.5 m -44.83 -27.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.611 -174.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.93 -50.79 63.14 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.753 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 77.6 m -65.54 -45.04 84.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.994 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 58.4 mtt -41.35 -55.88 2.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.377 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 34.2 mt -53.2 -57.47 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.726 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.404 ' NZ ' ' CB ' ' B' ' 92' ' ' LYS . 7.3 mtmp? -67.91 -14.06 62.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.194 -178.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -83.83 -25.56 30.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.546 -0.297 . . . . 1.0 110.84 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.49 -66.28 0.68 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.12 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 12.9 pt -58.58 -19.41 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.795 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -69.93 -41.28 74.81 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.336 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -50.84 -49.7 58.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.44 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.72 -63.02 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.53 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.569 179.597 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.875 0.369 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.6 p30 -67.59 -23.22 65.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.68 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.7 p -58.62 -40.86 84.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.789 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -49.54 31.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 1.0 109.978 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -64.75 -16.67 63.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.561 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -81.71 -70.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.643 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.514 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 27.5 m -40.47 -30.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.447 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -65.63 -50.89 63.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.983 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -59.62 -25.52 64.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.147 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.3 mm -67.94 -63.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.982 -0.287 . . . . 1.0 110.971 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CE2' ' O ' ' A' ' 16' ' ' VAL . 9.1 m-85 -49.74 -58.27 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.672 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -43.13 -41.43 3.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.205 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.42 -25.54 65.97 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.623 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 20' ' ' PHE . 6.0 tp -78.9 -4.44 49.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.448 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.65 85.1 0.2 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.339 -0.704 . . . . 1.0 111.339 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 10.5 t70 -173.59 150.78 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.712 0.291 . . . . 1.0 110.315 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -88.8 -71.47 0.59 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.064 0.459 . . . . 1.0 111.208 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.585 HD21 ' N ' ' A' ' 27' ' ' ASN . 1.6 m120 -48.66 -18.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.646 -0.707 . . . . 1.0 111.44 -176.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.454 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 11.7 tpp85 -71.77 -34.07 69.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.862 0.363 . . . . 1.0 110.088 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.7 mm -67.72 -34.64 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.742 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 tpp85 -74.01 -34.52 64.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.508 -0.315 . . . . 1.0 110.82 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.6 mt -74.06 -24.53 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.517 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 tpt -81.15 -35.75 31.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.521 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -64.33 -32.42 74.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.598 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.3 tp -71.79 -63.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.543 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.1 mt -45.84 -25.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.795 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 t -65.75 -52.05 54.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.824 0.345 . . . . 1.0 110.379 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.58 -59.68 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.528 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.8 m -151.47 136.83 17.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.889 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 10.7 pm0 -75.18 156.52 35.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.859 -0.609 . . . . 1.0 109.997 178.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.31 -177.58 6.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.913 0.387 . . . . 1.0 110.783 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.2 p -87.15 150.99 23.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.389 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 43' ' ' GLY . 12.9 p -49.56 -44.65 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.007 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.402 ' N ' ' CG1' ' A' ' 42' ' ' VAL . . . -60.44 -18.97 52.44 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.289 -0.724 . . . . 1.0 111.289 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -77.0 -20.3 56.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.785 0.326 . . . . 1.0 110.755 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.546 ' CD1' ' N ' ' A' ' 45' ' ' ILE . 1.5 mp -75.23 -29.5 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 1.0 109.938 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.583 ' HG ' ' HD1' ' A' ' 47' ' ' HIS . 55.1 p -44.32 -47.92 9.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 1.0 111.207 -178.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.6 ' H ' ' HD1' ' A' ' 47' ' ' HIS . 2.5 m80 -51.01 -14.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.13 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.425 ' H ' ' C ' ' A' ' 46' ' ' SER . 40.0 mt-30 -92.89 -57.27 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.565 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.38 -46.51 7.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.741 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 46' ' ' SER . 56.8 t-20 56.88 82.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.203 -178.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tt -151.21 -69.65 0.17 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.399 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 m -157.78 127.59 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.055 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -67.35 -26.53 66.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.521 -0.308 . . . . 1.0 111.035 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -81.59 -30.41 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.89 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.35 -44.68 67.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.968 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 m -71.88 -33.39 47.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.528 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.9 m -62.99 -54.19 42.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.179 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -43.83 -39.09 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.824 -0.625 . . . . 1.0 111.014 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -59.18 -55.83 29.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.495 -0.32 . . . . 1.0 111.441 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.1 mp -52.23 -20.06 2.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.89 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -72.46 -39.96 67.37 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.524 -0.47 . . . . 1.0 110.316 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 62' ' ' LEU . 3.2 mm? -67.11 -37.66 84.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.057 -0.349 . . . . 1.0 110.057 178.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 68' ' ' LEU . 13.9 mt -73.7 -30.86 63.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.668 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -75.29 -12.39 60.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.281 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.7 m -85.26 -34.74 21.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.079 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.7 t -72.32 -72.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.86 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -176.5 -4.93 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.242 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 63' ' ' LEU . 21.3 mt -110.11 159.12 17.61 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.74 0.305 . . . . 1.0 110.537 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 t 67.49 128.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.679 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -149.36 161.78 41.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.684 -0.689 . . . . 1.0 109.854 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -155.96 160.41 40.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.924 0.392 . . . . 1.0 110.876 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -141.56 127.89 19.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.841 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -60.66 152.04 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.268 0.556 . . . . 1.0 111.29 -175.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -152.9 108.75 3.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.397 -0.82 . . . . 1.0 110.548 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.468 ' C ' ' NE2' ' A' ' 76' ' ' GLN . . . 71.42 -105.29 1.62 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.084 -0.806 . . . . 1.0 111.084 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.468 ' NE2' ' C ' ' A' ' 75' ' ' GLY . 9.0 mp0 -126.41 18.23 7.57 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.822 0.344 . . . . 1.0 110.408 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.2 m -147.27 162.86 38.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.263 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -114.55 138.01 51.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.468 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 mt -110.52 138.18 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.554 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -109.33 140.94 42.37 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.29 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 82' ' ' LEU . 87.1 p -158.25 -172.63 3.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.81 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 81' ' ' SER . 24.7 mt -59.01 -150.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.753 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -155.17 -26.46 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.837 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 9.2 t70 -164.53 158.12 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.482 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.483 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 29.6 pt -79.02 12.05 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.783 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.506 ' C ' ' H ' ' A' ' 88' ' ' ALA . 30.9 m80 -77.3 -75.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.988 0.423 . . . . 1.0 110.647 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.3 m -48.22 -10.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.539 . . . . 1.0 111.371 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 86' ' ' HIS . . . -61.56 -62.06 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 1.0 110.737 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.0 t -66.83 -29.21 69.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.587 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.2 ttt -57.27 -40.79 78.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.461 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -61.16 -47.86 84.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.186 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -62.83 -57.35 11.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.535 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -40.67 -34.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.586 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.47 -46.79 75.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.869 0.366 . . . . 1.0 110.445 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.8 mm -70.72 -14.65 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.288 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -75.87 -58.96 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.758 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -62.29 -21.89 65.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 1.0 110.262 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.56 94.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.41 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.2 m120 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.199 179.31 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.863 0.363 . . . . 1.0 110.525 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -64.72 -35.79 82.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.495 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.7 m -71.79 -32.44 67.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.438 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.48 -20.66 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.103 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -83.25 -49.45 9.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.506 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.564 HH22 ' HD1' ' B' ' 67' ' ' HIS . 45.8 ttt85 -54.17 -55.4 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.259 -178.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.5 m -41.37 -28.55 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.365 -178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.5 p -76.58 -41.14 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.663 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' B' ' 15' ' ' ARG . 29.8 mt-10 -62.18 -22.08 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.987 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 16.1 mt -67.72 -69.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.677 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -43.73 -60.54 1.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.269 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -43.54 -36.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.404 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.93 -25.18 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.506 -0.315 . . . . 1.0 111.428 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' B' ' 23' ' ' LEU . 9.4 mp -78.47 0.75 24.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.086 -0.246 . . . . 1.0 110.668 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' B' ' 25' ' ' ASP . . . -64.71 -162.27 0.64 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' B' ' 24' ' ' GLY . 1.6 m-20 54.23 107.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 1.0 110.669 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -57.39 -18.73 19.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.868 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -82.13 -42.37 19.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.281 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -72.59 -34.21 67.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.294 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 tt -73.01 -32.36 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.287 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -67.6 -30.23 69.77 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.647 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -70.33 -51.23 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.433 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 31.5 ttm -46.54 -36.56 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.661 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -73.15 -30.53 63.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.997 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 25.4 tp -73.09 -44.95 59.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.528 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 mp -74.17 -18.53 60.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.128 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -63.81 -54.96 26.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.638 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.98 -37.3 79.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.736 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 55.5 m -165.53 130.62 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.8 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 1.4 pm0 -66.97 155.0 39.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.705 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.5 168.47 27.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.706 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.496 ' HG ' ' ND1' ' B' ' 44' ' ' HIS . 28.3 p -85.35 156.51 20.86 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.697 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.3 m -48.17 -43.12 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.348 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.44 -38.37 90.91 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 121.132 -0.556 . . . . 1.0 112.019 -176.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.496 ' ND1' ' HG ' ' B' ' 41' ' ' SER . 31.4 m80 -67.84 -33.85 75.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 1.0 111.405 -176.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 32.1 pt -80.79 -13.65 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.695 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.526 ' C ' ' H ' ' B' ' 48' ' ' GLN . 16.2 m -50.23 -28.98 8.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.591 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.22 -11.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.25 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.526 ' H ' ' C ' ' B' ' 46' ' ' SER . 14.4 mm100 -94.12 -52.45 4.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.027 177.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' B' ' 49' ' ' LEU . 9.8 mp -86.87 -64.89 1.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.236 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 66.38 25.83 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.991 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -91.31 -70.44 0.68 Allowed 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.6 m -158.87 132.0 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 1.0 109.937 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -54.11 -21.71 9.26 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.679 -0.408 . . . . 1.0 110.646 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 85.9 p -81.43 -24.83 36.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.481 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -77.5 -44.37 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.806 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.16 -38.51 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.647 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 66.6 m -58.62 -66.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.389 . . . . 1.0 110.495 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -40.59 -30.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 1.0 111.244 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -70.97 -55.39 8.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.744 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 28.3 mt -54.49 -29.55 50.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.478 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -67.41 -35.13 78.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.795 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -32.96 74.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.1 0.476 . . . . 1.0 110.039 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.96 -26.04 63.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.1 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -69.89 -27.89 65.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.493 -0.321 . . . . 1.0 110.964 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.425 ' C ' ' H ' ' B' ' 67' ' ' HIS . 5.6 m -66.89 -41.18 87.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.179 -178.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.468 ' C ' ' ND1' ' B' ' 67' ' ' HIS . 14.5 m -75.98 15.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.331 -177.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.564 ' HD1' HH22 ' B' ' 15' ' ' ARG . 8.2 m80 71.09 10.39 6.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.504 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 36.1 mt -109.4 153.71 23.6 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 110.035 -0.358 . . . . 1.0 110.035 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.8 t 62.78 141.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.761 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -164.08 135.05 4.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.559 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.94 171.74 7.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.372 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -148.29 162.71 38.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.479 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -89.7 145.17 25.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.681 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -148.43 106.19 3.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.382 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.23 -95.91 0.04 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.472 ' CD ' ' N ' ' B' ' 76' ' ' GLN . 2.2 pm0 -133.88 12.69 4.0 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.794 0.331 . . . . 1.0 110.246 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -130.02 135.76 48.64 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.458 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' B' ' 78' ' ' MET . 4.4 mpp? -103.89 145.68 29.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.881 -0.599 . . . . 1.0 110.19 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 pt -138.53 158.24 30.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -110.89 142.95 42.27 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.466 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' B' ' 82' ' ' LEU . 8.7 t -147.95 175.44 10.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.01 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.436 ' N ' ' OG ' ' B' ' 81' ' ' SER . 3.4 pp -162.75 -22.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.916 -178.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 20.2 p-10 -58.78 99.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.177 -177.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -110.05 17.65 20.83 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.529 ' O ' ' CG ' ' B' ' 86' ' ' HIS . 10.0 mt 63.88 54.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.134 -177.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' B' ' 85' ' ' ILE . 20.3 m170 -164.95 -27.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 92.9 t -86.0 -37.14 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.827 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.68 -42.05 87.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.857 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' THR . . . . . 0.452 ' O ' ' N ' ' B' ' 93' ' ' GLN . 42.2 p -69.0 -47.81 64.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.758 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 4.3 tpt -45.04 -51.94 9.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.873 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 tp -68.03 -42.29 80.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.62 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -72.66 -14.22 61.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.957 -178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' B' ' 89' ' ' THR . 59.8 tp60 -81.5 -29.8 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 1.0 110.491 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.36 -44.65 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.452 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.5 -21.4 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.394 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -46.0 63.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.756 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -78.63 -15.27 58.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.753 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.6 -52.06 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.747 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.936 -179.08 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.2 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.771 0.32 . . . . 1.0 110.76 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -80.81 -20.12 43.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 1.0 110.529 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 14' ' ' GLU . 53.1 p -74.55 -70.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.651 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.432 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 10.0 mp -47.2 -20.59 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.381 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 12' ' ' THR . 41.8 mm-40 -79.28 -45.65 19.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.732 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -83.38 -26.99 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.214 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.9 t -76.14 -40.5 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.624 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.6 m -68.06 -19.32 64.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.977 0.418 . . . . 1.0 110.427 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' A' ' 20' ' ' PHE . 30.6 tt0 -74.49 -69.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.339 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.4 pt -35.81 -25.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.987 -0.551 . . . . 1.0 112.248 -174.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' GLU . 51.9 m-85 -76.11 -70.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.515 -0.474 . . . . 1.0 109.885 177.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -51.35 -23.58 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.833 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.58 -19.03 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.026 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 3.1 mm? -89.43 12.17 17.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.347 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.81 -79.76 0.07 OUTLIER Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.03 135.42 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 1.0 110.807 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -72.94 -30.35 63.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.764 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -49.62 -44.83 47.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.693 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -66.09 -38.54 88.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 1.0 111.142 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mt -59.51 -28.81 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.951 -178.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -69.17 -35.11 75.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.743 -0.208 . . . . 1.0 111.274 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.538 ' CD1' ' N ' ' A' ' 31' ' ' ILE . 1.4 mp -81.15 -16.35 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.0 tpt -81.82 -39.86 23.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 1.0 110.62 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' OG ' ' A' ' 36' ' ' SER . 14.3 pt-20 -80.68 -41.88 22.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.014 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -67.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.447 -178.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' SER . 8.2 tp -46.84 -48.9 20.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.861 -177.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 33' ' ' GLU . 30.3 p -43.06 -40.18 3.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.032 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.19 -34.87 73.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.564 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 35' ' ' LEU . 40.0 m -167.23 137.58 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.533 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.93 158.42 19.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.143 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.33 164.92 37.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.985 0.421 . . . . 1.0 111.412 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.8 p -108.52 163.52 13.16 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.768 -0.651 . . . . 1.0 109.814 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.4 t -46.53 -46.3 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.69 0.281 . . . . 1.0 111.226 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.02 -53.46 40.04 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 121.385 -0.436 . . . . 1.0 112.042 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -60.8 -31.59 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.978 0.362 . . . . 1.0 111.978 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 48' ' ' GLN . 54.6 mt -71.93 -31.09 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.319 -0.552 . . . . 1.0 110.481 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -43.8 -19.58 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.84 0.353 . . . . 1.0 110.856 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' ILE . 11.9 m-70 -91.21 -30.2 16.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.734 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 45' ' ' ILE . 20.1 mt-30 -92.33 -58.36 2.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.022 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.1 tp -173.83 75.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.546 -0.297 . . . . 1.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 52' ' ' SER . 7.8 t30 -151.77 -15.9 0.19 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.792 -0.447 . . . . 1.0 109.792 177.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.499 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 3.1 pp -32.04 -28.62 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.822 -0.626 . . . . 1.0 111.924 -177.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 50' ' ' ASN . 31.1 t -95.44 72.38 3.21 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.991 -0.744 . . . . 1.0 108.991 173.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.533 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 18.3 mp0 -36.81 -63.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.869 -0.605 . . . . 1.0 112.01 -175.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.3 t -42.18 -18.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.423 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 53' ' ' GLN . 8.8 t-20 -76.54 -43.51 38.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.097 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.431 ' CG2' ' OD1' ' A' ' 50' ' ' ASN . 83.9 t -82.05 -41.81 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.783 0.325 . . . . 1.0 110.952 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.8 t -48.89 -48.53 42.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.013 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -74.48 -25.93 59.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.619 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -68.93 -60.94 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 1.0 111.191 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.57 -23.49 40.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.475 -0.33 . . . . 1.0 111.503 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -66.11 -42.38 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.169 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.37 -58.3 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.553 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.9 mt -45.69 -39.4 7.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.747 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -57.33 -42.23 81.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.826 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.514 ' C ' ' H ' ' A' ' 67' ' ' HIS . 41.0 t -64.91 -39.07 92.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.786 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -72.59 12.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.294 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.514 ' H ' ' C ' ' A' ' 65' ' ' SER . 2.2 t60 65.52 15.19 9.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.965 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' A' ' 69' ' ' VAL . 43.1 mt -96.64 139.54 32.57 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.687 -0.486 . . . . 1.0 109.687 176.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' A' ' 68' ' ' LEU . 20.7 m 46.49 177.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.392 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.555 ' HZ2' ' CB ' ' A' ' 70' ' ' LYS . 7.8 ttpm? -165.25 154.93 12.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.687 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.4 153.17 20.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.079 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -140.26 153.83 46.64 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.881 0.372 . . . . 1.0 110.595 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -85.27 119.87 26.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.172 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -152.8 115.85 4.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.92 0.39 . . . . 1.0 110.76 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.532 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 49.63 56.97 10.11 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.169 -0.772 . . . . 1.0 111.169 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 50.6 8.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.598 0.237 . . . . 1.0 111.23 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.532 ' H ' ' C ' ' A' ' 75' ' ' GLY . 14.3 m -123.47 144.17 49.69 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.983 -0.377 . . . . 1.0 109.983 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.4 ptt? -109.57 128.35 55.14 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.953 0.406 . . . . 1.0 110.739 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.6 pt -133.31 161.88 40.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.446 -0.575 . . . . 1.0 109.446 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -136.28 172.75 12.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.418 0.627 . . . . 1.0 111.168 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 44.7 t -170.01 -154.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.065 -0.971 . . . . 1.0 109.378 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.438 ' N ' ' OG ' ' A' ' 81' ' ' SER . 12.0 mt -86.89 -179.05 6.45 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.086 -0.339 . . . . 1.0 110.086 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -170.21 -8.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.731 -0.388 . . . . 1.0 111.238 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -116.3 -20.01 9.94 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.822 0.344 . . . . 1.0 110.414 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.524 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 27.4 mt 47.27 73.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.755 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 29.0 m80 -161.05 -54.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.318 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.5 m -46.19 -12.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.31 -178.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.515 ' H ' ' C ' ' A' ' 86' ' ' HIS . . . -62.85 -60.05 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.838 0.351 . . . . 1.0 110.657 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.7 p -62.32 -30.05 70.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.729 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 32.8 ttm -49.57 -47.36 49.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.676 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.4 mt -64.01 -41.68 97.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.717 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.79 -70.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 1.0 111.025 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -42.5 -26.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.315 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.03 -53.19 57.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 1.0 110.71 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.0 mm -68.8 -17.44 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.713 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.564 ' ND1' ' NE2' ' B' ' 86' ' ' HIS . 66.6 t-80 -63.47 -40.56 97.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.592 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -70.65 -63.15 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.309 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.3 -28.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.95 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.688 179.799 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.975 0.417 . . . . 1.0 110.534 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 34.1 p-10 -73.52 -14.68 61.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.351 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.6 p -76.14 -59.34 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.482 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' B' ' 13' ' ' LEU . 9.3 mp -47.0 -32.9 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.096 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -64.39 -56.19 15.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -68.08 -40.97 82.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.801 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.6 t -58.8 -17.11 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.619 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 96.1 m -85.96 -31.97 21.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 1.0 110.147 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -70.9 -20.79 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.65 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.433 ' CG2' ' N ' ' B' ' 20' ' ' PHE . 0.2 OUTLIER -56.32 -45.29 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.433 ' N ' ' CG2' ' B' ' 19' ' ' ILE . 29.0 m-85 -67.94 -55.86 11.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.693 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -51.2 -21.78 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.531 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.27 -36.59 73.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.921 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.47 ' CD1' ' N ' ' B' ' 23' ' ' LEU . 9.0 mp -63.97 -7.92 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 1.0 110.129 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 38.46 -127.03 1.75 Allowed Glycine 0 CA--C 1.527 0.788 0 CA-C-N 115.86 -0.609 . . . . 1.0 111.864 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -75.82 173.97 10.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.852 0.358 . . . . 1.0 110.84 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.598 ' CE2' ' ND2' ' B' ' 27' ' ' ASN . 19.4 p90 -68.99 -45.9 69.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.083 -178.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.598 ' ND2' ' CE2' ' B' ' 26' ' ' TYR . 67.7 m-80 -45.27 -33.84 2.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.909 0.385 . . . . 1.0 110.522 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.561 HH12 ' NE2' ' B' ' 59' ' ' GLN . 15.5 tpp180 -64.34 -34.16 77.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.251 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' B' ' 26' ' ' TYR . 43.9 mt -70.24 -28.81 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.779 -0.646 . . . . 1.0 111.095 -177.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 tpt85 -66.2 -32.11 73.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.398 . . . . 1.0 110.119 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 37.2 mt -63.14 -42.38 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.176 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 42.3 mtt -64.65 -44.97 88.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.687 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -54.7 -30.69 56.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.395 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' B' ' 36' ' ' SER . 0.3 OUTLIER -76.18 -62.03 1.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.178 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 34.2 mt -60.75 -6.65 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.604 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.404 ' H ' ' C ' ' B' ' 34' ' ' LEU . 5.8 t -81.63 -43.49 18.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.392 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 88.1 t -69.13 -24.39 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.638 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t 174.89 133.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.712 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.516 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 1.3 pm0 -51.79 164.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.746 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.61 154.92 29.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.619 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' B' ' 42' ' ' VAL . 33.4 t -85.35 -163.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.195 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.408 ' N ' ' OG ' ' B' ' 41' ' ' SER . 70.7 t -79.62 -66.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.378 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.11 -32.67 63.26 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.541 -0.624 . . . . 1.0 111.541 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.452 ' N ' ' HD1' ' B' ' 44' ' ' HIS . 1.7 m80 -58.47 -11.13 2.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.757 0.313 . . . . 1.0 110.712 -178.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' B' ' 48' ' ' GLN . 11.2 tt -78.05 -34.71 19.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.659 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.6 t -46.54 -32.71 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.71 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -84.56 -18.34 35.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.847 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' B' ' 45' ' ' ILE . 83.2 mt-30 -84.17 -57.42 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.1 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 21.8 mt -112.85 -27.89 7.95 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.93 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 t30 58.4 79.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 1.0 110.458 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 77.3 mt -140.54 -178.6 5.58 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.086 -0.507 . . . . 1.0 109.714 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 41.2 m -66.83 132.69 48.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.463 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -62.85 -40.18 96.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.075 -178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' B' ' 58' ' ' HIS . 36.8 m -52.29 -29.92 25.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.945 0.402 . . . . 1.0 110.408 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -73.56 -32.17 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.64 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.1 t -81.64 -49.4 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.282 -178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.7 p -57.89 -42.19 84.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 1.0 110.633 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' B' ' 54' ' ' SER . 2.1 m-70 -67.7 -42.47 81.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.104 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.561 ' NE2' HH12 ' B' ' 28' ' ' ARG . 38.7 mm-40 -64.63 -57.67 8.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 1.0 111.103 -178.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 38.4 mt -46.38 -24.52 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.76 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -72.93 -43.23 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 1.0 110.621 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 22.7 mt -59.5 -35.89 75.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.699 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.17 -23.84 62.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.77 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -65.3 -21.48 66.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.439 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.466 ' C ' ' H ' ' B' ' 67' ' ' HIS . 13.3 t -71.39 -59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.714 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 5.5 m -64.62 1.12 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.599 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.466 ' H ' ' C ' ' B' ' 65' ' ' SER . 21.2 m80 58.65 14.18 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.083 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -14.97 60.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.568 -0.531 . . . . 1.0 109.568 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 87.2 t -137.94 157.88 32.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.472 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -163.98 128.83 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.298 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.59 174.56 5.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.982 0.42 . . . . 1.0 110.621 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -149.54 168.16 24.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.104 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -75.68 135.05 40.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -149.35 78.95 1.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.322 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 59.12 52.27 54.35 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.104 -0.798 . . . . 1.0 111.104 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 73.72 -28.67 0.19 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.555 0.217 . . . . 1.0 110.983 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' SER . . . . . 0.492 ' H ' ' C ' ' B' ' 75' ' ' GLY . 8.8 t -81.06 128.13 33.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 1.0 110.637 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 39.1 tpp -83.29 107.11 15.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.524 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.8 tt -94.02 133.1 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.719 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -110.85 143.13 41.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.379 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 27.8 t -144.98 171.07 14.97 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.53 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.456 ' C ' ' H ' ' B' ' 84' ' ' ASP . 22.0 mt -68.6 -32.44 72.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.833 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 67.56 -3.89 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.815 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.456 ' H ' ' C ' ' B' ' 82' ' ' LEU . 8.4 m-20 -157.82 147.84 20.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.509 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 23.8 pt -97.76 -18.92 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.477 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.564 ' NE2' ' ND1' ' A' ' 96' ' ' HIS . 32.1 m80 -51.04 -16.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.8 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 35.8 m -90.81 -27.57 4.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.564 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.17 76.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.658 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 34.4 m -77.58 -41.4 38.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.726 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 25.7 ttt -60.61 -40.35 91.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.721 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -67.96 -38.4 82.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.328 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -78.08 -9.27 59.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.783 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -88.13 -26.32 22.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.59 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.47 -50.99 18.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.418 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.0 mm -58.95 -27.99 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.439 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -66.06 -57.4 7.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.679 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' B' ' 99' ' ' ASN . 13.6 t60 -54.0 -70.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.832 -178.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -36.15 -25.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.102 -0.499 . . . . 1.0 112.086 -177.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' B' ' 97' ' ' HIS . 5.2 p-10 . . . . . 0 C--N 1.33 -0.275 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.984 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.867 0.365 . . . . 1.0 110.641 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.3 -19.11 62.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.536 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 m -69.63 -70.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.74 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.45 ' CD1' ' H ' ' A' ' 13' ' ' LEU . 10.0 mp -43.64 -42.42 5.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.526 -179.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -52.01 -61.26 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.015 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' GLU . 52.2 mtp180 -55.31 -52.5 63.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.3 t -43.42 -23.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.008 -178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 15' ' ' ARG . 11.9 m -81.98 -40.75 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.498 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ARG . 33.9 tt0 -61.61 -19.45 62.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.831 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.9 mm -69.99 -36.21 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.78 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -71.45 -65.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.609 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -46.06 -23.28 0.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.59 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.58 -34.99 58.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.985 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.6 mt -76.08 3.51 10.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.825 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 25' ' ' ASP . . . -55.19 -172.86 0.09 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 24' ' ' GLY . 4.8 m-20 55.45 108.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.333 . . . . 1.0 110.754 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -59.4 -37.17 77.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.714 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -58.39 -33.87 70.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.731 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -67.89 -30.02 69.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.947 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.0 mt -74.83 -26.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.967 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -70.18 -30.86 68.1 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.506 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 34' ' ' LEU . 9.1 mm -63.22 -57.9 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.376 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 48.4 mtm -47.22 -37.66 10.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.525 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -59.66 -32.39 70.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.34 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -75.85 -52.36 10.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 1.0 109.95 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.2 -15.75 16.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.483 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.5 t -75.39 -58.2 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.61 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.3 m -58.45 -35.27 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.652 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t 178.91 146.84 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 1.0 110.814 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.533 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.6 pm0 -49.73 175.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.637 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.1 144.91 19.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.7 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.1 m -87.89 -167.93 2.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.742 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.7 t -81.56 -63.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.883 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.426 ' O ' ' OG ' ' A' ' 46' ' ' SER . . . -66.27 -28.21 73.54 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 120.772 -0.728 . . . . 1.0 111.684 -176.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -74.7 -39.24 62.07 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.193 0.442 . . . . 1.0 112.193 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.8 tt -76.19 -13.81 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.649 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 43' ' ' GLY . 90.5 p -64.64 -63.97 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.37 . . . . 1.0 110.567 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -55.54 -22.94 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.482 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -67.5 -16.92 64.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.087 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.0 tp -168.04 49.45 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.395 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.507 ' CG ' ' H ' ' A' ' 51' ' ' LEU . 36.9 t-20 51.49 -139.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.747 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.507 ' H ' ' CG ' ' A' ' 50' ' ' ASN . 8.7 mp 52.27 179.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 76.7 p -151.36 175.71 11.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.811 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -41.22 -43.48 2.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.778 -0.646 . . . . 1.0 111.45 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.8 m -55.02 -52.29 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.083 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -78.99 -38.14 37.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.182 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.6 t -68.23 -43.91 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 1.0 110.846 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 56.5 m -59.46 -37.75 78.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.561 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' LYS . 31.4 t-80 -70.38 -69.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.225 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 60' ' ' LEU . 2.6 pt20 -44.05 -42.27 6.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.971 -178.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.404 ' N ' ' CG ' ' A' ' 59' ' ' GLN . 10.2 tp -53.7 -34.85 60.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 1.0 110.448 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' HIS . 50.7 tttp -60.64 -34.25 73.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.933 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 62' ' ' LEU . 3.3 mm? -69.06 -27.24 65.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.34 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.6 mt -79.69 -39.36 31.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.738 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.51 ' HZ2' ' H ' ' A' ' 71' ' ' ALA . 61.9 tttp -64.75 -20.01 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.609 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 83.0 p -74.12 -57.5 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.011 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.468 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 7.5 p -66.07 -5.35 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.65 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 65' ' ' SER . 4.8 m80 78.33 14.81 1.38 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.827 -0.624 . . . . 1.0 112.164 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.6 mt -80.06 -12.07 59.72 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.633 -0.506 . . . . 1.0 109.633 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 70' ' ' LYS . 93.1 t -139.85 159.51 26.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.876 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.414 ' N ' ' CG1' ' A' ' 69' ' ' VAL . 64.4 tttm -146.83 136.25 22.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.276 -179.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.51 ' H ' ' HZ2' ' A' ' 64' ' ' LYS . . . -102.38 142.85 32.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.455 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -148.92 163.07 38.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.13 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -89.3 131.63 35.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.265 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -140.76 78.86 1.67 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.066 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.34 -99.96 2.21 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.766 -0.934 . . . . 1.0 110.766 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -133.17 13.39 4.24 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.741 0.305 . . . . 1.0 110.419 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.2 p -128.25 135.29 49.46 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.471 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 78' ' ' MET . 1.7 mpt? -85.91 87.66 7.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.436 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.1 mt -91.34 148.32 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.427 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -137.6 173.94 11.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.281 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.3 t -172.17 -156.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.568 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -68.8 -160.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.629 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -154.07 -7.64 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.54 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.493 ' OD2' ' ND1' ' A' ' 86' ' ' HIS . 44.1 t0 -167.96 160.27 12.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.428 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.458 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 21.4 pt -81.7 -4.58 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.73 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.493 ' ND1' ' OD2' ' A' ' 84' ' ' ASP . 32.6 m170 -78.42 -24.75 46.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.58 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.74 -46.09 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.732 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.34 -64.13 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.86 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.1 p -44.97 -48.47 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.938 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.0 ttt -42.13 -48.98 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.243 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.2 mt -65.76 -37.87 87.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.978 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.525 ' O ' ' ND1' ' A' ' 96' ' ' HIS . 90.9 mttt -78.66 -12.72 60.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.189 -177.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -85.22 -20.99 29.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 1.0 110.517 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.64 -59.39 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.542 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.53 -25.37 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.796 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 92' ' ' LYS . 0.3 OUTLIER -68.62 -47.98 65.24 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.861 -0.336 . . . . 1.0 110.537 179.224 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -63.88 -14.05 50.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.797 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.94 -67.04 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.905 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.434 ' N ' HD21 ' A' ' 99' ' ' ASN . 1.6 m-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.86 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.776 0.322 . . . . 1.0 110.5 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -73.53 -53.51 10.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.747 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.482 ' HG1' ' H ' ' B' ' 13' ' ' LEU . 51.1 p -60.67 -50.89 71.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.518 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.482 ' H ' ' HG1' ' B' ' 12' ' ' THR . 36.6 tp -50.41 -29.33 9.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.532 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -61.03 -59.26 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.629 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -58.03 -42.27 84.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.745 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 84.2 t -53.63 -32.87 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.76 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -74.7 -39.65 61.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.676 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.88 -16.3 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.731 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 98.4 mt -69.39 -70.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.674 -0.411 . . . . 1.0 110.507 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -40.38 -63.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.466 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -44.45 -33.49 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.145 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.74 -29.64 69.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.342 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.529 ' N ' ' CD2' ' B' ' 23' ' ' LEU . 3.1 mm? -89.46 12.19 17.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.579 0.228 . . . . 1.0 110.506 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.19 -163.65 11.92 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 60.74 115.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 1.0 110.644 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -51.08 -57.96 7.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.855 -0.611 . . . . 1.0 111.196 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -46.31 -38.36 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.638 -177.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.538 HH12 ' CG ' ' B' ' 59' ' ' GLN . 80.0 mtt-85 -69.2 -43.25 74.53 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.972 -0.291 . . . . 1.0 111.363 -177.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 97.0 mt -51.67 -29.89 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.695 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -73.1 -33.65 65.7 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.925 -0.31 . . . . 1.0 110.896 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 55.6 mt -60.29 -42.08 89.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.505 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 13.5 tpt -71.08 -40.42 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 1.0 110.706 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.424 ' O ' ' OG ' ' B' ' 36' ' ' SER . 31.8 tt0 -53.9 -54.79 33.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.44 -178.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.24 -28.71 67.47 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.818 -0.353 . . . . 1.0 111.313 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 38.3 mt -64.61 -40.42 95.45 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.769 -0.456 . . . . 1.0 109.769 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' B' ' 33' ' ' GLU . 62.0 p -55.94 -43.14 77.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.501 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.8 t -67.08 -48.78 78.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.454 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 13.9 t -161.17 147.98 14.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.644 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -64.21 176.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.572 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.32 135.44 11.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.523 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.6 m -69.97 -168.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.384 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.54 ' CG1' ' H ' ' B' ' 43' ' ' GLY . 14.6 p -72.57 -60.41 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.616 -0.434 . . . . 1.0 110.759 -178.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.54 ' H ' ' CG1' ' B' ' 42' ' ' VAL . . . -75.14 -32.82 55.62 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.535 -0.626 . . . . 1.0 111.535 -178.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -49.35 -20.18 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 1.0 110.836 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 11.2 tt -74.86 -25.74 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.796 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.511 ' O ' ' N ' ' B' ' 50' ' ' ASN . 73.7 m -49.66 -59.11 4.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.009 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -43.82 -18.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.305 -178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' B' ' 46' ' ' SER . 8.5 tp-100 -92.79 -57.63 2.6 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.764 0.316 . . . . 1.0 110.597 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 17.6 mt -100.18 -46.48 5.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.348 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' B' ' 46' ' ' SER . 20.0 t-20 57.4 87.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.743 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 57.4 mt -134.4 -85.72 0.41 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.335 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 10.2 t -157.93 127.29 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -47.24 -36.42 8.97 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.823 -0.351 . . . . 1.0 110.7 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.9 p -62.23 -27.02 68.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.761 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.88 -40.12 63.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.859 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.96 -45.99 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.635 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.8 t -54.25 -36.25 63.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.23 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -79.42 -67.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.642 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . 0.538 ' CG ' HH12 ' B' ' 28' ' ' ARG . 28.9 tt0 -49.41 -27.38 4.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.432 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 37.1 tp -75.14 -41.18 58.9 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.636 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -63.46 -22.04 66.66 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.477 -0.489 . . . . 1.0 110.575 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 23.4 mt -71.55 -43.55 66.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.357 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.2 -30.83 68.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.455 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -66.07 -37.5 85.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.568 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 9.0 m -53.47 -40.88 65.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.475 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.1 t -77.32 -11.69 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.086 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 67.74 16.97 9.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.919 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 38.6 tp -63.19 -14.2 46.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.043 0.449 . . . . 1.0 110.272 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.3 m -146.02 172.51 3.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.554 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -151.92 120.99 6.67 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.18 163.34 12.29 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.014 0.435 . . . . 1.0 110.939 -177.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -140.72 156.6 46.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.643 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' B' ' 73' ' ' ARG . 0.8 OUTLIER -82.64 116.75 22.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.269 179.638 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -149.68 115.48 5.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 1.0 109.989 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . 0.403 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 72.9 -169.18 52.94 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.222 -1.151 . . . . 1.0 110.222 -177.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -81.31 33.56 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.808 0.337 . . . . 1.0 110.612 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' SER . . . . . 0.403 ' H ' ' C ' ' B' ' 75' ' ' GLY . 84.5 p -151.06 166.35 31.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.035 0.445 . . . . 1.0 110.692 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 49.7 mtt -109.84 92.06 3.9 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.354 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -78.41 147.6 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.487 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.5 ' O ' ' CD1' ' B' ' 80' ' ' TYR . 47.5 p90 -150.56 128.47 11.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.439 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 46.0 p -123.38 -144.93 0.34 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.829 0.347 . . . . 1.0 110.271 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mt -74.38 163.42 27.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.709 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -79.24 -67.93 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.809 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -159.11 -179.02 7.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.729 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.525 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 13.5 pt -74.05 62.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.69 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' B' ' 85' ' ' ILE . 37.2 m80 -150.05 -24.65 0.26 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.519 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 34.3 m -76.33 -41.11 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.858 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.15 -22.84 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.951 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 32.6 p -72.65 -40.82 66.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.878 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 20.8 ttt -79.83 -29.22 40.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.967 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.82 -53.51 39.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.81 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.445 ' CG ' ' N ' ' B' ' 93' ' ' GLN . 17.7 ptmt -62.8 -52.59 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.832 -178.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.445 ' N ' ' CG ' ' B' ' 92' ' ' LYS . 79.8 mt-30 -45.99 -27.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.671 0.272 . . . . 1.0 110.865 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.27 -41.86 47.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 1.0 110.343 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 84.4 mt -72.73 -26.16 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.429 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -72.69 -25.29 61.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.381 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.448 ' C ' ' H ' ' B' ' 99' ' ' ASN . 19.3 t60 -83.8 -20.36 33.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.417 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.57 5.45 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.65 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' B' ' 97' ' ' HIS . 57.1 t30 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.259 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 120.885 0.374 . . . . 1.0 110.54 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 12' ' ' THR . 8.2 p-10 -86.92 -64.34 1.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.569 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.509 ' H ' ' CG ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -52.46 -24.36 7.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.715 -179.522 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.7 tp -72.96 -53.54 10.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.194 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -62.62 -12.02 20.58 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.913 -0.315 . . . . 1.0 110.705 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -72.39 -60.58 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.752 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.4 m -50.27 -18.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.471 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 m -77.7 -35.56 51.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.279 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -64.3 -20.1 65.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.618 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.4 mt -63.54 -70.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.634 -0.426 . . . . 1.0 110.176 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' LEU . 98.1 m-85 -40.55 -58.11 1.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.258 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -44.35 -32.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.001 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.67 -30.43 67.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.924 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 3.1 mm? -81.22 -5.45 57.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.291 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 26' ' ' TYR . . . -55.12 -46.7 77.37 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.231 -0.748 . . . . 1.0 111.231 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 25.4 p-10 -46.45 90.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.999 0.428 . . . . 1.0 110.681 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 24' ' ' GLY . 36.5 t80 -46.62 -67.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.382 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -40.24 -32.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.754 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' ILE . 1.0 OUTLIER -69.49 -51.44 35.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.413 . . . . 1.0 110.424 -178.224 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 76.0 mt -42.65 -35.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.395 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -69.99 -33.3 71.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 1.0 110.752 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 28' ' ' ARG . 62.5 mt -71.0 -30.45 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.242 178.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 38.1 ttp -63.18 -31.93 73.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.265 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -67.26 -31.23 71.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.359 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.9 tp -70.8 -58.98 3.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.306 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.2 mt -52.53 -24.35 7.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.874 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.5 t -64.85 -54.06 36.92 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.839 -0.344 . . . . 1.0 110.455 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.1 t -57.68 -37.6 60.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.528 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 t -177.55 146.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.631 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -53.01 160.52 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.229 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.04 149.89 23.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.903 0.382 . . . . 1.0 110.761 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.3 t -87.25 162.44 17.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.451 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.2 t -49.04 -49.67 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.092 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.72 -46.03 92.71 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.237 -0.745 . . . . 1.0 111.237 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -52.0 -30.11 23.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.557 0.217 . . . . 1.0 111.026 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.5 mm -65.96 -27.94 42.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 50' ' ' ASN . 17.8 m -53.34 -62.71 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.867 -178.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -55.95 -18.32 8.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.447 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -72.14 -23.22 61.27 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.792 -0.363 . . . . 1.0 111.21 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 tp -163.18 22.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.938 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 46' ' ' SER . 5.9 m-80 43.09 91.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.971 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 tp -152.96 170.11 21.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.154 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.1 t -83.02 150.94 26.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.501 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -73.05 -51.66 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.607 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.5 m -45.99 -36.03 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.692 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.57 -44.47 74.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.733 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.86 -37.96 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.611 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.9 p -63.28 -44.92 93.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.346 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -60.43 -52.05 66.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.596 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -51.74 -59.91 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.62 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.8 mt -44.28 -25.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.103 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -70.67 -40.89 72.71 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.721 -0.392 . . . . 1.0 110.559 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.455 ' CD1' ' N ' ' A' ' 62' ' ' LEU . 9.4 mp -62.03 -30.59 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.118 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 7.5 mp -78.98 -31.12 44.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.246 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -66.12 -21.64 66.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.374 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.498 ' C ' ' H ' ' A' ' 67' ' ' HIS . 44.2 m -73.83 -49.22 26.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.119 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.1 p -76.0 30.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.235 0.541 . . . . 1.0 110.62 -178.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.498 ' H ' ' C ' ' A' ' 65' ' ' SER . 23.8 m80 59.36 9.68 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.683 -0.69 . . . . 1.0 112.452 175.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.38 145.23 28.44 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.2 t 65.73 149.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.306 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -142.14 174.93 10.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.066 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -131.38 130.64 42.88 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.026 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -117.57 137.03 52.87 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.345 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -90.68 128.1 36.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.19 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -147.1 97.56 2.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.859 0.361 . . . . 1.0 110.19 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.94 -100.34 1.47 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.725 -0.95 . . . . 1.0 110.725 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -128.17 -25.48 2.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.795 0.331 . . . . 1.0 110.422 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.9 t -89.42 144.73 25.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.64 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 41.6 mtp -97.36 99.78 11.22 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.185 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.4 mm -79.31 132.19 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.89 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -110.7 142.92 41.97 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.365 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.3 p -153.83 -178.21 6.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.633 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.7 163.26 27.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.755 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -70.91 -60.47 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.658 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 18.0 t70 -162.02 -169.96 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.461 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.526 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 11.2 mm -73.48 70.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.607 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 25.0 m170 -154.28 -30.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.3 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 44.8 t -81.22 -34.29 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.72 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.48 -61.05 2.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.803 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -38.95 69.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.767 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 42.1 ttm -51.26 -46.11 62.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.574 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.1 tp -58.57 -42.73 88.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.283 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -67.77 -63.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.904 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -40.2 -31.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.705 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.46 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -69.95 -66.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 1.0 111.015 -178.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.492 ' CD1' ' N ' ' A' ' 95' ' ' ILE . 1.6 mp -59.94 -5.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.794 -0.447 . . . . 1.0 109.794 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.46 ' H ' ' C ' ' A' ' 94' ' ' ALA . 57.3 t60 -73.28 -63.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.405 178.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 97' ' ' HIS . 33.6 t60 -56.71 -16.34 6.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.486 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.76 -71.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.465 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.403 179.471 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.865 0.364 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -55.45 -43.43 75.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.539 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.4 p -60.29 -44.37 95.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.483 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.43 -37.44 3.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.227 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -63.87 -58.54 6.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.581 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' B' ' 18' ' ' GLU . 41.1 ttm180 -52.38 -45.17 65.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.908 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 90.8 t -45.68 -23.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.439 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 29.7 m -76.13 -41.17 50.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.349 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' B' ' 15' ' ' ARG . 81.3 tt0 -56.96 -18.16 12.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.678 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 51.9 mt -70.94 -63.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.796 -0.362 . . . . 1.0 110.742 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' B' ' 23' ' ' LEU . 10.1 m-85 -48.37 -63.88 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.837 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' B' ' 23' ' ' LEU . 59.2 mttm -47.5 -37.49 12.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.213 -177.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.65 4.9 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.367 . . . . 1.0 110.684 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.42 ' H ' ' C ' ' B' ' 21' ' ' LYS . 8.5 tp -121.79 -17.51 7.36 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.185 -178.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.71 77.07 0.8 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.976 -0.849 . . . . 1.0 110.976 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -164.09 114.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 1.0 110.538 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -51.2 -26.42 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.769 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.494 HD21 ' C ' ' B' ' 27' ' ' ASN . 0.4 OUTLIER -75.91 -47.04 26.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.201 -178.302 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -75.64 -35.14 60.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.174 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.63 -43.72 95.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.206 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.509 ' NH1' HE21 ' B' ' 48' ' ' GLN . 43.4 ttt-85 -73.54 -33.04 64.52 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.636 -0.426 . . . . 1.0 111.304 -177.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 88.9 mt -66.29 -35.62 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.745 -0.382 . . . . 1.0 109.986 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 7.4 mmt -60.81 -36.7 79.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.367 178.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -62.34 -33.98 75.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.733 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 18.8 tp -70.85 -54.37 11.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.337 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 34.8 mt -58.82 -12.95 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.795 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -78.89 -40.08 33.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.572 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 47.1 t -71.63 -37.03 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.687 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 34.6 p -173.51 161.69 4.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.666 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.507 ' N ' ' OE2' ' B' ' 39' ' ' GLU . 1.8 mp0 -72.41 156.01 39.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.399 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.22 144.25 18.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.867 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.8 m -80.12 166.68 21.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.188 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.416 ' CG2' ' N ' ' B' ' 43' ' ' GLY . 24.2 m -54.42 -50.34 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.69 -0.404 . . . . 1.0 110.644 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.416 ' N ' ' CG2' ' B' ' 42' ' ' VAL . . . -61.06 -34.54 88.31 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.184 -0.766 . . . . 1.0 111.184 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 50.1 m170 -66.03 -27.18 67.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.321 . . . . 1.0 110.731 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.0 mt -70.26 -22.28 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.239 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.528 ' O ' ' N ' ' B' ' 50' ' ' ASN . 7.6 m -53.57 -55.77 22.82 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.438 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -45.13 -21.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.509 HE21 ' NH1' ' B' ' 30' ' ' ARG . 33.4 tp60 -90.11 -45.27 9.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.162 178.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 38.9 mt -134.25 59.29 1.74 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.004 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' B' ' 46' ' ' SER . 40.9 m-80 -48.6 96.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.792 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 72.3 mt -137.1 -78.94 0.39 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.387 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -157.75 132.14 8.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.357 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.507 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 3.0 mp0 -63.39 -50.19 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.684 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.1 p -48.7 -30.98 6.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.695 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -74.06 -39.59 63.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.418 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.63 -44.58 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.318 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.4 p -59.98 -38.47 82.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.269 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -67.32 -40.3 85.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.545 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -66.69 -62.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.355 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -44.72 -27.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.968 -0.293 . . . . 1.0 111.348 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -70.18 -37.41 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.585 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.37 -35.1 79.28 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.575 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.499 ' CD1' ' N ' ' B' ' 63' ' ' LEU . 8.1 mp -69.88 -25.62 63.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.313 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.533 ' CB ' ' HZ3' ' B' ' 64' ' ' LYS . 2.8 ttmp? -61.28 -45.08 95.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.667 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.469 ' O ' ' CE1' ' B' ' 67' ' ' HIS . 26.6 t -54.5 -36.37 64.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.718 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.9 0.41 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.459 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.469 ' CE1' ' O ' ' B' ' 65' ' ' SER . 13.4 m80 65.6 12.98 8.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.352 178.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 71.7 mt -76.96 -108.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.368 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.2 m -43.38 156.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.843 0.354 . . . . 1.0 111.084 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -149.03 172.54 14.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 1.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.12 131.71 11.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.949 0.404 . . . . 1.0 110.632 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.454 ' NZ ' ' CB ' ' B' ' 72' ' ' LYS . 8.4 mtpm? -110.04 161.82 15.15 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.399 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . 0.46 ' N ' ' CD ' ' B' ' 73' ' ' ARG . 0.8 OUTLIER -89.95 124.89 35.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.959 178.465 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -152.68 93.99 1.83 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.666 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.02 28.58 53.91 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.307 -0.717 . . . . 1.0 111.307 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 71.7 18.78 5.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.925 0.393 . . . . 1.0 110.535 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 6.4 t -126.88 132.07 51.02 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.332 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.443 ' SD ' ' N ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -84.33 110.91 18.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.467 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.0 mm -93.12 120.87 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.606 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -96.15 132.95 41.03 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.603 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 18.9 p -132.19 161.14 34.12 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.256 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' B' ' 84' ' ' ASP . 10.5 tp -78.27 65.32 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.892 -178.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 50.65 -86.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.119 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 82' ' ' LEU . 12.6 m-20 -148.94 168.99 21.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.098 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 pt -61.29 -2.15 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.753 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' B' ' 84' ' ' ASP . 34.0 m170 -71.0 -80.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.352 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 61.7 t -45.92 -20.45 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.748 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' B' ' 86' ' ' HIS . . . -59.37 -61.48 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.646 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.47 -28.85 69.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.594 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 9.1 ttt -62.75 -38.01 88.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.284 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.51 -48.52 79.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 1.0 109.766 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -65.2 -56.0 15.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.735 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -46.43 -28.33 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.447 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.23 -66.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 1.0 110.836 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . 0.429 ' O ' ' ND2' ' B' ' 99' ' ' ASN . 11.1 tt -55.04 -14.02 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.76 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -68.59 -58.46 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.609 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -60.07 -21.21 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.607 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.3 -76.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.383 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.498 ' C ' HD21 ' B' ' 99' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.293 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.786 0.327 . . . . 1.0 110.478 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.6 -38.42 62.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.635 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' ARG . 87.9 m -53.54 -67.17 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.78 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.437 ' CD1' ' H ' ' A' ' 13' ' ' LEU . 10.0 mp -46.75 -33.94 4.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.351 -179.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -72.87 -35.52 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.991 0.424 . . . . 1.0 110.074 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 12' ' ' THR . 38.4 ttm180 -75.55 -51.8 12.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.877 -0.602 . . . . 1.0 110.768 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.3 t -50.91 -38.93 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.755 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.8 m -68.03 -36.62 80.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.636 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.99 -22.32 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.891 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.405 HG23 HD11 ' A' ' 19' ' ' ILE . 18.3 mm -70.54 -32.42 49.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.422 -0.353 . . . . 1.0 110.884 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -77.31 -63.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.894 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -50.52 -26.27 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 1.0 110.469 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.52 3.19 9.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.842 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.1 mt -130.97 15.24 5.23 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.184 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.99 -65.05 3.84 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.804 -0.918 . . . . 1.0 110.804 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -48.04 120.87 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 1.0 110.73 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -68.58 -25.15 64.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.858 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -57.23 -37.65 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.92 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.53 -22.2 59.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.995 -178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.7 mt -76.87 -35.93 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.949 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -70.49 -32.06 69.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.844 -0.343 . . . . 1.0 110.675 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -71.5 -53.34 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.58 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.409 ' O ' ' OG ' ' A' ' 36' ' ' SER . 56.5 mtt -49.83 -34.06 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.783 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -66.07 -40.19 90.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.919 0.39 . . . . 1.0 110.624 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -57.06 13.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.064 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.434 ' CD2' ' CE2' ' A' ' 80' ' ' TYR . 10.1 mp -54.7 -22.37 13.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.711 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 32' ' ' MET . 2.0 m -63.18 -33.63 75.9 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.424 -0.51 . . . . 1.0 109.841 178.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 t -78.76 -38.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.429 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.8 p -169.48 130.71 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.87 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.524 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.3 pm0 -48.14 172.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.867 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.49 146.2 19.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.551 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.6 t -89.53 -170.21 2.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.564 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -69.88 -61.45 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.114 0.483 . . . . 1.0 110.586 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.51 -37.68 89.15 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -71.92 -43.37 65.42 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.6 tt -73.21 -18.37 18.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.259 -0.576 . . . . 1.0 111.003 -176.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.516 ' CB ' HE22 ' A' ' 53' ' ' GLN . 5.3 m -63.13 -15.32 56.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.008 0.432 . . . . 1.0 110.536 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.588 ' HD1' ' N ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -81.99 -11.23 58.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.136 179.211 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -75.04 -45.85 38.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.928 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.4 tp -171.19 -30.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.147 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' SER . 15.3 m120 -84.35 129.14 34.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.567 -0.288 . . . . 1.0 110.899 -178.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.496 ' CD1' ' N ' ' A' ' 51' ' ' LEU . 8.4 mp -87.91 -63.84 1.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.895 0.379 . . . . 1.0 110.018 178.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 m -72.4 141.94 48.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.63 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.516 HE22 ' CB ' ' A' ' 46' ' ' SER . 46.8 mm-40 -80.94 -51.56 8.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.913 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -44.79 -27.64 0.54 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.868 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -67.31 -44.4 79.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.621 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.33 -34.65 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.828 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -57.3 -40.72 78.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.023 0.44 . . . . 1.0 109.945 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.32 -52.23 59.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.292 178.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -49.53 -63.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.023 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.6 mt -42.49 -25.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.454 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -70.86 -42.14 70.49 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.965 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.525 ' CD2' ' N ' ' A' ' 62' ' ' LEU . 3.2 mm? -67.59 -47.96 68.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.59 -179.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.5 mt -55.87 -27.26 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.667 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -72.04 -31.86 66.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.404 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 67' ' ' HIS . 15.0 t -55.37 -57.81 10.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.664 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.426 ' O ' ' CG2' ' A' ' 66' ' ' VAL . 2.6 p -62.94 0.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.258 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.517 ' H ' ' C ' ' A' ' 65' ' ' SER . 26.6 t60 64.47 15.1 9.35 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.18 177.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 69' ' ' VAL . 21.2 tp -64.08 -113.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.725 -0.472 . . . . 1.0 109.725 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 68' ' ' LEU . 20.9 m -46.93 174.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.402 . . . . 1.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -142.53 175.01 10.12 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.051 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.04 158.78 38.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.423 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -149.69 116.99 6.05 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.599 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -60.53 151.22 29.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.182 0.515 . . . . 1.0 111.408 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -153.06 87.67 1.28 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.27 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 74.12 62.92 2.8 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 57.56 1.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.453 0.168 . . . . 1.0 111.435 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.504 ' H ' ' C ' ' A' ' 75' ' ' GLY . 61.1 m -108.73 132.57 53.82 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.802 0.334 . . . . 1.0 110.367 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.6 ptt? -98.46 118.29 34.82 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.394 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.409 ' O ' ' CG2' ' A' ' 79' ' ' ILE . 10.4 tp -95.44 123.26 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.48 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.434 ' CE2' ' CD2' ' A' ' 35' ' ' LEU . 14.7 t80 -101.4 136.06 41.87 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.211 -0.45 . . . . 1.0 109.941 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 p -165.86 -160.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.879 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.8 mt -78.81 176.72 9.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.829 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -93.71 -63.18 1.23 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.921 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -145.69 -83.56 0.13 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.24 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.427 ' C ' ' CD1' ' A' ' 85' ' ' ILE . 2.4 pp -156.93 -2.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.526 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -77.84 -35.87 50.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.176 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 37.0 t -67.13 -43.33 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.549 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.37 -52.94 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.456 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.7 m -49.21 -31.12 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.377 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.6 tpp -62.62 -41.59 99.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.629 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.5 mt -72.36 -49.94 30.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.914 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -56.99 -24.13 51.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.223 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -86.08 -23.56 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 1.0 110.551 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.16 -47.59 42.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.508 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.4 mm -68.18 -23.69 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.524 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.554 ' HE2' ' CE1' ' B' ' 86' ' ' HIS . 43.5 t60 -67.33 -60.24 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.792 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -63.17 -18.3 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.992 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.33 -77.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.9 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 19.7 p30 . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.713 -179.57 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.796 0.331 . . . . 1.0 110.582 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -75.77 -30.42 59.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.526 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.4 p -52.05 -37.66 54.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.597 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' B' ' 13' ' ' LEU . 7.9 mp -77.41 -36.25 53.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.198 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.75 -10.59 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.707 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' B' ' 17' ' ' THR . 92.8 mtt180 -93.48 -70.12 0.72 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.887 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.6 m -44.24 -15.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.316 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.514 ' N ' ' O ' ' B' ' 15' ' ' ARG . 16.1 p -78.75 -51.78 9.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.14 -178.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -64.45 -16.02 61.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.821 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 35.7 mm -67.31 -37.57 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.661 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -70.88 -66.72 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.488 -0.324 . . . . 1.0 111.01 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -55.17 -21.88 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.473 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.51 -32.92 19.62 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.908 -0.317 . . . . 1.0 110.952 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -129.94 58.38 1.65 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.979 0.418 . . . . 1.0 110.733 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.36 -22.12 38.7 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -81.47 130.45 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 1.0 110.886 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' B' ' 29' ' ' ILE . 67.7 m-85 -51.98 -71.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.307 -178.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -33.66 -34.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.337 0.495 . . . . 1.0 112.337 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' B' ' 26' ' ' TYR . 94.8 mtt180 -72.13 -34.76 68.8 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.994 -0.282 . . . . 1.0 111.709 -177.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' B' ' 26' ' ' TYR . 6.0 tt -59.18 -29.34 41.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.641 -0.423 . . . . 1.0 110.703 -177.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -78.92 -33.79 45.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.322 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -58.25 -47.26 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.761 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 53.7 mtm -70.36 -36.64 74.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.998 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -56.13 -32.55 64.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 24.0 tp -71.57 -46.25 59.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.378 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 31.1 mt -63.49 -5.79 4.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -84.49 -57.98 2.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.311 . . . . 1.0 110.369 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 15.3 t -59.65 -39.75 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.562 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -165.5 153.16 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.461 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.512 ' N ' ' OE2' ' B' ' 39' ' ' GLU . 1.8 mp0 -67.4 162.83 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.509 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.06 134.57 10.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.5 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.6 p -81.4 -164.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.643 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.58 -66.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.911 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.55 -19.35 18.96 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.604 -0.598 . . . . 1.0 111.604 -178.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -79.39 -12.92 59.9 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.76 -0.259 . . . . 1.0 111.571 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.447 ' C ' ' H ' ' B' ' 47' ' ' HIS . 9.1 tp -75.93 -22.58 15.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.734 -0.387 . . . . 1.0 110.694 -178.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.414 ' HG ' HE21 ' B' ' 53' ' ' GLN . 16.2 m -55.61 -8.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.86 -178.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.447 ' H ' ' C ' ' B' ' 45' ' ' ILE . 2.0 m-70 -86.11 -31.3 21.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.603 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -95.91 -57.56 2.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.428 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' B' ' 51' ' ' LEU . 9.8 mp -97.16 50.63 1.09 Allowed 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.942 -0.392 . . . . 1.0 109.942 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' B' ' 50' ' ' ASN . 1.5 m120 -46.71 87.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.895 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' B' ' 49' ' ' LEU . 16.2 tp -160.84 -68.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.408 -177.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -158.59 138.75 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.587 -0.279 . . . . 1.0 110.404 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.418 ' CD ' ' N ' ' B' ' 53' ' ' GLN . 23.3 mp0 -77.27 -48.68 16.85 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.935 -0.306 . . . . 1.0 110.778 179.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.482 ' O ' ' CE1' ' B' ' 58' ' ' HIS . 11.6 t -49.43 -29.75 6.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.762 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -66.87 -41.5 87.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.496 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 57.3 t -73.92 -37.17 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.598 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.0 p -58.83 -31.76 68.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.202 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.482 ' CE1' ' O ' ' B' ' 54' ' ' SER . 15.9 m170 -76.31 -63.13 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.397 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.52 -44.35 17.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.696 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.6 tp -58.15 -33.38 69.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 1.0 110.525 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -61.94 -30.93 71.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.67 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.528 ' N ' ' CD2' ' B' ' 62' ' ' LEU . 3.0 mm? -78.82 -25.8 44.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.043 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 25.5 tp -73.63 -33.58 64.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.261 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . 0.433 ' O ' ' CD2' ' B' ' 67' ' ' HIS . 34.9 ttmt -71.7 -26.97 62.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.653 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 9.3 t -48.92 -52.22 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.056 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.8 t -79.92 -4.5 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.093 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.459 ' C ' ' H ' ' B' ' 69' ' ' VAL . 42.1 m80 56.56 25.63 10.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.295 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.15 -10.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.966 -0.383 . . . . 1.0 109.966 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.459 ' H ' ' C ' ' B' ' 67' ' ' HIS . 16.2 m -146.66 173.29 2.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.534 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -136.87 150.03 48.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.134 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -133.43 159.66 39.68 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.371 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -135.42 146.98 48.82 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.376 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 66.8 mtm-85 -90.96 135.47 33.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.23 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -140.78 92.89 2.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.888 0.375 . . . . 1.0 110.37 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.82 -76.39 1.75 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.249 -0.74 . . . . 1.0 111.249 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -154.49 -18.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.739 0.304 . . . . 1.0 110.814 -178.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 67.3 m -87.32 133.69 33.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.843 0.354 . . . . 1.0 110.632 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.447 ' O ' ' CE2' ' B' ' 80' ' ' TYR . 44.6 mtt -92.68 96.18 10.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.492 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.552 ' CD1' ' N ' ' B' ' 79' ' ' ILE . 1.5 mp -82.31 150.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.85 -0.426 . . . . 1.0 109.85 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.447 ' CE2' ' O ' ' B' ' 78' ' ' MET . 73.7 m-85 -130.01 146.11 51.68 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.205 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' SER . . . . . 0.434 ' HG ' ' C ' ' B' ' 80' ' ' TYR . 8.3 m -159.51 -169.53 2.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.576 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.521 ' N ' ' CD2' ' B' ' 82' ' ' LEU . 3.1 mm? -69.22 171.95 7.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.179 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' B' ' 84' ' ' ASP . 8.8 t70 -84.36 -89.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.684 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 45.6 t0 -147.32 42.62 1.1 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.39 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.469 ' C ' ' CG ' ' B' ' 86' ' ' HIS . 33.8 mt 66.09 167.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 O-C-N 123.406 0.441 . . . . 1.0 110.152 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' HE2' ' A' ' 96' ' ' HIS . 4.2 m170 87.23 -41.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.793 0.683 . . . . 1.0 110.211 -177.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 66.7 t -73.17 -49.13 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.945 0.403 . . . . 1.0 110.46 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.67 -56.73 14.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.049 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 1.5 t -48.12 -40.37 23.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.856 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 37.3 ttm -49.28 -44.45 44.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 1.0 110.27 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.23 -41.07 99.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.666 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' B' ' 94' ' ' ALA . 62.1 tttm -66.41 -62.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.877 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -45.5 -18.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.093 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' B' ' 92' ' ' LYS . . . -76.2 -43.84 40.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.55 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 14.9 mm -72.41 -16.54 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.734 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -74.26 -46.44 41.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.706 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.4 ' O ' ' CD2' ' B' ' 97' ' ' HIS . 11.7 t60 -75.83 -26.33 57.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.582 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -43.57 -24.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.349 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 C--N 1.33 -0.256 0 C-N-CA 120.738 -0.385 . . . . 1.0 111.167 -179.361 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.6 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.581 0.229 . . . . 1.0 111.3 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.82 -31.0 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 1.0 110.141 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.8 t -70.75 -39.18 73.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.541 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.4 tp -56.27 -27.6 55.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.553 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -69.06 -61.23 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.339 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -53.55 -21.08 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.281 0.475 . . . . 1.0 112.281 -175.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.2 t -48.36 -50.24 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.546 -0.462 . . . . 1.0 110.911 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 t -59.78 -40.41 88.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.838 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -55.44 -20.78 13.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.651 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.4 mt -69.62 -70.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.012 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -44.14 -64.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.258 -177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -42.51 -39.62 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.274 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.46 -28.68 70.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.277 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 10.1 mp -100.57 22.39 11.88 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 110.204 -0.295 . . . . 1.0 110.204 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.18 -75.19 0.26 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.281 -0.728 . . . . 1.0 111.281 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -44.8 138.72 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.898 0.38 . . . . 1.0 110.982 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.408 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 49.1 p90 -68.14 -40.73 82.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.923 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' CD2' ' A' ' 26' ' ' TYR . 64.0 t30 -45.71 -35.5 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.858 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -66.46 -34.39 77.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.962 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -69.25 -28.44 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 1.0 111.158 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.491 HH21 ' CD2' ' A' ' 49' ' ' LEU . 53.1 ttp180 -79.66 -38.55 33.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.744 0.306 . . . . 1.0 111.01 -178.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.2 mt -56.65 -26.68 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.033 -0.358 . . . . 1.0 110.033 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 34.8 ttm -81.99 -33.45 30.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.603 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.68 -45.96 87.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.186 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -53.59 21.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.034 0.445 . . . . 1.0 110.41 -178.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.72 -29.34 70.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.69 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -55.55 -69.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.57 -177.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.5 p -52.99 -29.13 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.577 -0.283 . . . . 1.0 111.312 -176.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 t -160.24 145.32 14.85 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.925 -0.31 . . . . 1.0 110.626 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -73.42 155.25 39.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.522 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.37 152.78 26.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 1.0 110.877 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 t -86.86 163.57 17.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.017 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 43' ' ' GLY . 11.8 p -47.46 -46.15 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 1.0 110.705 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.451 ' N ' ' CG1' ' A' ' 42' ' ' VAL . . . -64.86 -39.67 96.73 Favored Glycine 0 CA--C 1.527 0.793 0 C-N-CA 121.327 -0.463 . . . . 1.0 112.19 -176.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.527 ' O ' ' CE1' ' A' ' 47' ' ' HIS . 32.2 m170 -73.97 -36.59 64.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.973 0.387 . . . . 1.0 111.775 -176.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 tt -76.8 -13.74 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.614 -0.434 . . . . 1.0 110.439 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.9 m -56.02 -45.53 79.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.203 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 44' ' ' HIS . 4.4 p-80 -58.67 -11.16 2.81 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.711 -0.395 . . . . 1.0 110.769 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.508 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 0.4 OUTLIER -74.74 -42.73 57.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.117 179.75 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.491 ' CD2' HH21 ' A' ' 30' ' ' ARG . 31.9 mt -96.74 -30.78 13.01 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.333 179.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 55.82 63.07 2.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.266 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.6 mt -143.22 -163.03 1.55 Allowed 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.118 -0.697 . . . . 1.0 109.118 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.5 t -71.69 126.76 30.54 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.919 -0.312 . . . . 1.0 110.237 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -52.65 -18.89 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.984 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.4 p -78.8 -20.13 50.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.745 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -72.97 -44.28 61.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.145 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -74.35 -38.95 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.016 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.4 p -60.57 -39.72 89.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.992 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.432 ' N ' ' HD1' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -73.24 -38.24 66.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.862 -179.095 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -73.09 -32.77 65.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.075 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.28 -35.0 78.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.576 -0.284 . . . . 1.0 110.822 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.4 -35.79 80.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 1.0 110.627 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.6 tp -56.43 -32.7 65.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.427 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 mt -75.56 -25.31 56.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.044 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -69.91 -12.37 61.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.71 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.2 m -52.03 -61.26 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.935 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.3 m -88.81 27.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.944 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 55.7 33.3 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.162 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.1 tp -70.59 -16.21 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 1.0 110.656 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 70' ' ' LYS . 96.6 t -139.97 159.03 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.695 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.412 ' N ' ' CG1' ' A' ' 69' ' ' VAL . 31.3 ttmt -131.25 140.19 49.79 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.851 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.75 128.19 49.59 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.913 -177.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.52 ' CE ' ' NE2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -104.46 122.04 44.69 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 177.853 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -85.03 123.51 30.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 1.0 111.246 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.52 ' NE2' ' CE ' ' A' ' 72' ' ' LYS . 41.4 mm-40 -128.71 108.12 10.22 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.246 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.85 -87.07 0.02 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.16 -0.776 . . . . 1.0 111.16 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -143.28 -10.5 0.74 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.666 0.27 . . . . 1.0 110.429 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.7 t -87.54 131.71 34.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.295 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 41.3 mmm -92.59 89.02 6.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.096 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.498 ' N ' ' CD1' ' A' ' 79' ' ' ILE . 1.8 mp -84.06 161.7 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.45 ' N ' ' CG2' ' A' ' 79' ' ' ILE . 75.3 m-85 -138.22 152.1 48.29 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.063 0.459 . . . . 1.0 110.62 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.492 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 5.7 t -151.7 180.0 7.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.061 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.492 ' N ' ' OG ' ' A' ' 81' ' ' SER . 23.6 mt -66.14 155.92 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.922 -0.311 . . . . 1.0 110.374 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -72.8 -38.42 67.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.399 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -159.23 -172.57 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.0 109.778 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.5 tt -79.61 -29.9 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 1.0 110.994 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.425 ' O ' ' OG1' ' A' ' 89' ' ' THR . 24.2 m80 -57.92 -15.84 10.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.983 -178.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.9 t -70.27 -46.16 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 1.0 111.133 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.96 -15.0 62.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.061 -178.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 86' ' ' HIS . 59.4 p -79.26 -65.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.986 -178.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.442 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 11.3 ptt? -50.11 -45.47 52.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.219 -178.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.442 ' N ' ' CG ' ' A' ' 90' ' ' MET . 0.3 OUTLIER -57.38 -63.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 1.0 110.64 -177.899 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -51.19 -62.49 1.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.145 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 93' ' ' GLN . 11.0 tm0? -51.28 -17.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.372 -177.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.58 -63.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 1.0 111.056 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.4 pt -64.2 -16.98 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.134 -177.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -75.26 -39.52 59.75 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.221 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -52.03 -64.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.367 -0.533 . . . . 1.0 109.782 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.14 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.41 . . . . 1.0 109.975 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 1.0 109.973 177.606 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.9 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.702 0.287 . . . . 1.0 110.652 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 21.9 p-10 -60.61 -50.78 72.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 1.0 111.183 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 t -65.69 -23.49 66.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.832 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -48.81 48.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.403 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -73.3 -9.87 59.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.649 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.404 ' C ' ' H ' ' B' ' 17' ' ' THR . 19.0 tpt85 -83.56 -57.3 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.789 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.4 m -51.99 -12.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.361 -178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.404 ' H ' ' C ' ' B' ' 15' ' ' ARG . 11.1 m -85.51 -52.72 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 1.0 111.166 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.19 -26.46 62.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.615 -176.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' B' ' 20' ' ' PHE . 13.6 tt -53.05 -46.96 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.724 -178.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.473 ' N ' ' CG2' ' B' ' 19' ' ' ILE . 64.8 m-85 -67.73 -52.97 31.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 1.0 110.559 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -50.32 -15.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.99 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' B' ' 20' ' ' PHE . . . -82.52 -3.97 56.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.417 -178.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 pp -151.42 50.92 0.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.011 0.434 . . . . 1.0 110.723 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.39 -74.51 0.94 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -42.9 146.96 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 1.0 111.175 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -79.66 -24.81 41.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.04 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -57.63 -43.09 84.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.491 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -69.79 -23.91 63.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.8 0.333 . . . . 1.0 110.769 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.4 mm -70.92 -30.86 43.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.812 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -67.06 -30.24 70.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.931 0.396 . . . . 1.0 110.43 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -72.72 -42.73 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.516 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 7.6 tpt -58.32 -38.88 78.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.699 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -62.73 -32.73 73.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.455 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -54.44 31.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.136 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' B' ' 38' ' ' SER . 14.8 mt -44.07 -64.86 0.59 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.902 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' B' ' 37' ' ' VAL . 19.0 p -41.79 -56.1 2.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.409 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.424 ' N ' ' OG ' ' B' ' 36' ' ' SER . 98.2 t -49.38 -41.46 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.492 -179.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.406 ' O ' ' O ' ' B' ' 35' ' ' LEU . 22.9 t -169.4 159.18 8.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.6 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' B' ' 39' ' ' GLU . 32.9 mp0 -80.07 147.16 31.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.206 179.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.41 145.06 18.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 1.0 110.764 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -81.05 171.72 14.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.195 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' B' ' 43' ' ' GLY . 8.0 p -52.3 -49.06 43.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.782 -0.367 . . . . 1.0 110.679 -178.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . 0.47 ' N ' ' CG1' ' B' ' 42' ' ' VAL . . . -63.06 -52.44 47.73 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.716 -0.554 . . . . 1.0 111.716 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -52.24 -29.41 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.723 0.296 . . . . 1.0 111.185 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.2 mt -73.17 -24.42 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.406 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.435 ' O ' ' N ' ' B' ' 50' ' ' ASN . 19.5 p -53.52 -24.15 12.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.763 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -67.02 -11.74 57.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.997 0.427 . . . . 1.0 110.237 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.463 ' O ' ' ND2' ' B' ' 50' ' ' ASN . 7.2 tt0 -89.88 -56.15 3.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.398 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' B' ' 49' ' ' LEU . 9.8 mp -78.02 -26.85 48.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.122 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' B' ' 48' ' ' GLN . 1.2 m-80 56.59 28.67 14.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.681 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.485 ' CG ' ' H ' ' B' ' 52' ' ' SER . 5.4 tp -117.33 -138.61 0.36 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.971 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.552 ' HG ' ' N ' ' B' ' 53' ' ' GLN . 13.6 t -85.99 153.3 22.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.611 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.552 ' N ' ' HG ' ' B' ' 52' ' ' SER . 15.3 pt20 -82.25 -43.3 17.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.987 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 28.0 t -56.68 -31.21 64.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.826 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -57.43 -39.16 75.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.616 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 t -78.8 -30.98 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.684 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 9.8 t -62.37 -45.74 91.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.515 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -66.14 -61.99 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.535 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -48.91 -53.59 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.896 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.0 tp -49.67 -29.49 7.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.887 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . 0.427 ' HZ2' ' CB ' ' B' ' 61' ' ' LYS . 2.8 ttmp? -67.93 -32.27 72.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.856 -178.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . 0.436 ' CD1' ' N ' ' B' ' 62' ' ' LEU . 9.9 mp -68.34 -44.91 74.25 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.831 -0.348 . . . . 1.0 110.128 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.413 ' CD1' ' N ' ' B' ' 63' ' ' LEU . 10.0 mp -55.82 -24.49 36.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.182 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -71.33 -24.31 62.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.427 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.413 ' O ' ' CE1' ' B' ' 67' ' ' HIS . 43.4 t -46.91 -61.29 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.771 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 13.6 m -79.99 2.28 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.545 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.444 ' C ' ' N ' ' B' ' 69' ' ' VAL . 5.9 m-70 64.94 28.23 12.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.869 -0.605 . . . . 1.0 111.419 178.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 7.3 tp -48.09 -15.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 1.0 110.377 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.444 ' N ' ' C ' ' B' ' 67' ' ' HIS . 33.0 m -150.03 -175.86 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.693 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.433 ' HZ2' ' HZ1' ' B' ' 72' ' ' LYS . 23.6 ttpp -151.65 115.92 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.352 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.6 146.53 28.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.57 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . 0.433 ' HZ1' ' HZ2' ' B' ' 70' ' ' LYS . 60.6 mttm -122.17 162.29 21.6 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.033 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -96.37 139.2 32.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.874 0.369 . . . . 1.0 110.644 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -147.91 105.34 3.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.427 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.69 -91.13 0.32 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -148.42 15.36 1.0 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 1.0 110.592 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 47.5 m -121.72 130.07 53.18 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.353 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mtp -86.92 96.3 10.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.217 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.6 tt -81.45 148.12 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.826 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -127.01 140.88 51.98 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.555 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 51.1 m -156.5 -174.95 5.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.359 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 16.7 mt -70.97 167.2 19.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.729 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -77.87 -56.59 4.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.631 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -155.24 -80.41 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.915 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.1 pt -156.78 -28.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.252 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -57.06 -40.94 77.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.745 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' B' ' 88' ' ' ALA . 12.8 p -64.27 -45.49 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.548 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' B' ' 87' ' ' VAL . . . -62.13 -25.54 67.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.542 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 18.3 m -73.67 -54.7 7.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.668 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 20.4 ttt -50.6 -55.2 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.781 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.8 tp -47.59 -59.93 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.298 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -58.9 -62.1 2.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.779 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -39.86 -36.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.575 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.4 -69.05 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 1.0 110.741 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.6 tt -56.06 -19.05 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.08 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -73.46 -18.97 61.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.268 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . 0.506 ' C ' ' H ' ' B' ' 99' ' ' ASN . 74.6 t60 -71.69 -56.24 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.175 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.13 12.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.969 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.506 ' H ' ' C ' ' B' ' 97' ' ' HIS . 3.1 t30 . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.464 -0.335 . . . . 1.0 110.704 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.6 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.825 0.345 . . . . 1.0 110.349 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 11' ' ' ASP . 1.9 m-20 -81.22 -25.2 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.641 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 15' ' ' ARG . 19.6 p -68.95 -61.11 1.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.582 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -32.3 48.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.883 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -71.48 -24.98 62.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.286 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 12' ' ' THR . 60.2 ttm-85 -90.22 -33.91 16.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.626 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.0 t -79.23 -23.59 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.274 -177.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.525 ' OG1' ' NZ ' ' A' ' 21' ' ' LYS . 9.3 t -77.54 -29.7 52.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.522 -0.308 . . . . 1.0 111.069 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.69 -17.67 57.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.147 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.62 -51.03 77.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.24 -0.584 . . . . 1.0 110.146 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -64.18 -59.64 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.78 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.525 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 58.4 mttp -47.54 -30.48 3.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.766 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.61 5.98 2.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.104 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' GLY . 54.4 mt -105.17 -7.68 18.88 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.352 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -54.64 -163.81 0.01 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 t70 61.29 95.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 1.0 110.589 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -49.89 -48.12 51.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.96 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -47.13 -34.01 5.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 1.0 111.099 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -77.44 -39.1 47.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.072 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.1 mt -57.06 -41.53 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.734 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -68.67 -30.89 69.68 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.836 -0.346 . . . . 1.0 110.41 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -75.38 -20.12 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 1.0 109.932 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -74.29 -36.82 63.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.903 178.287 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -60.72 -32.51 71.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.31 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.39 -42.19 92.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.344 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.2 mt -75.39 -6.43 49.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.611 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -78.44 -51.23 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.704 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.4 p -77.72 -31.81 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.766 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.6 p -172.13 140.24 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.753 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -52.59 175.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.306 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.5 147.23 20.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.787 0.327 . . . . 1.0 110.72 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 t -86.43 -169.55 2.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.81 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.17 -63.49 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.856 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.71 -38.1 94.6 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.483 -0.647 . . . . 1.0 111.483 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -48.26 -32.63 7.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.654 0.264 . . . . 1.0 111.236 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 48' ' ' GLN . 95.9 mt -67.43 -41.58 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.995 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' ASN . 85.3 p -45.54 -17.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.279 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' ILE . 64.0 t-80 -96.87 -25.88 15.28 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.781 0.324 . . . . 1.0 110.884 -179.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 45' ' ' ILE . 44.6 tp60 -66.12 -45.48 80.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.898 -177.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 tt -166.72 -50.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.101 0.477 . . . . 1.0 110.148 -178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 46' ' ' SER . 29.0 m120 -72.21 175.25 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.595 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.55 34.22 0.63 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.055 0.455 . . . . 1.0 109.926 -179.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -151.26 122.43 7.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.163 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -72.57 -20.62 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.868 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.5 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 48.6 m -77.57 -31.61 53.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.681 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -69.62 -45.89 67.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.845 -179.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.0 m -73.71 -37.07 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.896 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.9 t -53.48 -38.14 63.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.976 0.417 . . . . 1.0 110.464 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.5 ' CE1' ' O ' ' A' ' 54' ' ' SER . 25.5 m170 -65.37 -51.8 57.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.549 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -50.77 -52.77 37.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.16 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mp -49.21 -27.72 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.223 -178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -68.76 -42.41 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.797 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' A' ' 62' ' ' LEU . 9.4 mp -61.23 -29.66 69.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.705 -179.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.64 -32.01 60.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.013 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -60.37 -37.78 81.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.327 . . . . 1.0 110.767 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.4 t -59.59 -57.67 11.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.605 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.42 ' C ' ' N ' ' A' ' 68' ' ' LEU . 11.5 m -73.53 6.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.749 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 46.79 18.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.705 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.42 ' N ' ' C ' ' A' ' 66' ' ' VAL . 45.8 tp -57.96 -15.87 10.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.481 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.3 m -147.23 176.29 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.589 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -148.62 124.35 10.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.246 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.76 160.76 14.3 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.746 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.559 ' HZ1' ' CB ' ' A' ' 72' ' ' LYS . 7.8 ttpm? -149.32 115.33 5.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.982 -0.554 . . . . 1.0 109.999 178.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -60.63 148.5 38.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.22 0.533 . . . . 1.0 111.322 -175.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -153.5 81.88 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.28 -0.873 . . . . 1.0 109.877 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.17 -169.83 40.42 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.43 -1.068 . . . . 1.0 110.43 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -56.19 -17.43 7.32 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.988 -0.285 . . . . 1.0 111.071 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.4 m -98.37 141.49 31.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.772 0.32 . . . . 1.0 110.544 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -107.08 87.07 2.42 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.001 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.9 pt -91.22 159.78 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.571 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.42 ' O ' ' OG ' ' A' ' 81' ' ' SER . 36.5 p90 -146.45 -172.51 3.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.701 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 80' ' ' TYR . 17.5 m -167.94 -160.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.434 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 81' ' ' SER . 16.1 mt -59.28 -149.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.669 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -157.31 -18.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.798 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -171.34 168.95 6.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.324 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.0 pt -77.46 0.58 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.725 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -79.73 -30.26 40.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.771 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.4 t -66.93 -43.61 89.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.917 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.15 -39.43 82.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.011 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.574 ' HG1' ' N ' ' A' ' 90' ' ' MET . 80.4 p -75.78 -46.75 29.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.06 -178.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' MET . . . . . 0.574 ' N ' ' HG1' ' A' ' 89' ' ' THR . 1.0 OUTLIER -46.2 -54.33 8.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.895 -178.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.5 tp -61.84 -46.07 91.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.034 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -61.43 -63.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.358 . . . . 1.0 110.841 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -42.31 -28.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.423 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.46 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -71.91 -66.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.866 -0.334 . . . . 1.0 110.759 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.7 mm -50.6 -13.26 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.612 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.46 ' H ' ' C ' ' A' ' 94' ' ' ALA . 7.9 t60 -73.16 -56.98 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.726 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -60.84 -21.29 63.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.726 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -42.46 -52.84 4.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.171 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 99' ' ' ASN . 26.7 t-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.494 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.6 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.727 0.299 . . . . 1.0 110.845 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -79.95 -61.62 1.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.329 179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 51.7 p -51.62 -17.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.351 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 tp -71.5 -57.56 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.351 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' B' ' 17' ' ' THR . 5.7 tp10 -49.18 -17.63 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.764 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -75.29 -64.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 1.0 111.035 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 13.3 m -49.92 -20.29 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.036 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 81.7 p -76.14 -29.56 57.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 1.0 110.451 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -70.74 -17.06 62.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.582 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.7 -46.69 93.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.356 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -67.86 -62.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.804 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.415 ' C ' ' H ' ' B' ' 23' ' ' LEU . 65.2 mttm -46.89 -30.58 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.607 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.49 7.32 1.89 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.866 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.415 ' H ' ' C ' ' B' ' 21' ' ' LYS . 6.2 tp -130.74 15.3 5.35 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.11 0.481 . . . . 1.0 109.795 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . 0.629 ' N ' HH21 ' B' ' 28' ' ' ARG . . . -91.1 70.3 2.03 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' B' ' 24' ' ' GLY . 55.7 m-20 -161.33 112.09 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.016 0.436 . . . . 1.0 110.57 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -43.23 -60.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.806 -0.633 . . . . 1.0 111.479 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.565 HD21 ' H ' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -56.84 -30.36 63.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.734 -176.403 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.629 HH21 ' N ' ' B' ' 24' ' ' GLY . 25.7 ttp180 -72.02 -42.38 66.43 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.922 -0.311 . . . . 1.0 111.29 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 95.8 mt -58.17 -31.27 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.983 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.0 -34.47 57.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.032 0.444 . . . . 1.0 110.188 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.41 -32.3 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.36 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 6.8 mmt -74.33 -32.08 62.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.478 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.425 ' O ' ' OG ' ' B' ' 36' ' ' SER . 54.5 tt0 -57.09 -35.6 69.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.465 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' B' ' 37' ' ' VAL . 13.6 tp -70.81 -51.88 23.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.419 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 49.7 mt -48.14 -23.07 0.75 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.31 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 33' ' ' GLU . 17.4 p -78.53 -38.11 41.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.281 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 34' ' ' LEU . 55.4 t -82.65 -50.73 15.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.79 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 31.2 t -163.74 144.54 8.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.973 0.416 . . . . 1.0 111.251 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.58 165.98 13.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.661 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.528 ' O ' ' CZ ' ' B' ' 80' ' ' TYR . . . -156.07 156.01 33.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.567 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -94.82 178.07 5.7 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.88 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.66 -58.68 6.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.946 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.83 -37.11 89.88 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.266 -0.733 . . . . 1.0 111.266 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -75.49 -42.82 51.98 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.154 0.428 . . . . 1.0 112.154 -176.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 tp -72.47 -16.32 18.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.404 -0.518 . . . . 1.0 110.546 -177.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.434 ' O ' ' O ' ' B' ' 50' ' ' ASN . 50.8 m -63.69 -66.69 0.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.867 -0.333 . . . . 1.0 111.122 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -55.43 -16.25 3.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.946 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -88.07 3.19 49.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.018 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.47 -67.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.544 -0.462 . . . . 1.0 110.817 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 52' ' ' SER . 40.3 t30 -119.5 148.4 43.32 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.942 0.401 . . . . 1.0 110.838 -177.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' B' ' 51' ' ' LEU . 1.2 mm? -80.88 -61.62 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.316 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.522 ' O ' ' ND2' ' B' ' 50' ' ' ASN . 31.2 t -59.27 131.18 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.844 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' B' ' 53' ' ' GLN . 19.4 mp0 -80.64 -37.86 30.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.635 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 16.9 t -54.56 -28.68 47.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.963 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -73.48 -46.06 50.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.621 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.22 -40.1 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.602 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.3 t -52.68 -32.7 43.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.319 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.406 ' O ' ' ND1' ' B' ' 58' ' ' HIS . 21.8 t-80 -74.71 -33.86 62.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.81 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -68.29 -58.91 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.863 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.8 mt -50.06 -27.97 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.568 -0.287 . . . . 1.0 110.74 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -76.63 -47.11 23.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.505 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 61.1 tp -48.81 -46.53 41.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.103 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.3 -25.92 64.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.523 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -75.03 -10.2 59.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.018 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' B' ' 66' ' ' VAL . 60.7 p -63.17 -61.33 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.888 -0.596 . . . . 1.0 111.074 -179.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.421 ' N ' ' OG ' ' B' ' 65' ' ' SER . 4.9 t -66.77 -71.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.911 -177.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.12 18.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.449 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 mt -103.14 149.55 24.52 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.023 -0.362 . . . . 1.0 110.023 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.531 ' H ' ' CG ' ' B' ' 83' ' ' ASP . 5.4 t 64.98 141.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.137 -177.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -135.15 174.83 10.17 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.121 -0.49 . . . . 1.0 109.895 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.05 116.86 3.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.96 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -98.27 150.94 21.0 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.315 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -81.61 118.55 22.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.002 0.429 . . . . 1.0 110.633 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -153.02 107.48 3.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 79.81 -166.38 50.43 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -77.39 30.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.716 0.293 . . . . 1.0 110.657 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' SER . . . . . 0.478 ' H ' ' C ' ' B' ' 75' ' ' GLY . 37.3 m -158.73 174.15 15.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.583 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 19.1 mmt -113.03 116.03 29.28 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.31 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 10.5 tp -87.05 152.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 110.136 -0.32 . . . . 1.0 110.136 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.528 ' CZ ' ' O ' ' B' ' 40' ' ' ALA . 23.1 p90 -142.97 172.32 12.85 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.716 0.293 . . . . 1.0 110.431 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 27.3 t -169.04 -161.16 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.973 0.416 . . . . 1.0 111.095 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 tp -58.64 147.41 32.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.687 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . 0.531 ' CG ' ' H ' ' B' ' 69' ' ' VAL . 5.0 m-20 -63.95 -95.86 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.684 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -100.72 -88.69 0.36 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.433 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.425 ' C ' ' H ' ' B' ' 87' ' ' VAL . 13.7 tt -174.77 -29.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.554 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -68.0 0.96 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.729 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.425 ' H ' ' C ' ' B' ' 85' ' ' ILE . 6.9 m -85.42 -33.27 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.226 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.52 -41.55 93.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.274 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 52.8 p -65.82 -36.5 83.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.312 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 3.6 mmt -67.69 -33.78 75.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.297 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.3 tp -63.88 -58.34 7.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.735 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.432 ' CG ' ' H ' ' B' ' 93' ' ' GLN . 8.3 ptmm? -64.48 -54.29 34.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.77 -178.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.432 ' H ' ' CG ' ' B' ' 92' ' ' LYS . 1.4 tm0? -43.88 -30.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.164 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.21 -69.36 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 1.0 111.168 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 13.4 tt -53.91 -18.64 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.908 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -76.82 -48.36 18.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.526 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -61.47 -11.4 10.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.597 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.68 -77.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.309 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.49 179.048 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.73 0.3 . . . . 1.0 110.742 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 12' ' ' THR . 44.0 p30 -71.13 -21.17 62.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.647 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.607 ' HG1' HH21 ' A' ' 15' ' ' ARG . 71.0 m -76.52 -58.17 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.532 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.83 -33.93 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.303 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -70.04 -49.26 53.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.982 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.607 HH21 ' HG1' ' A' ' 12' ' ' THR . 85.0 mtm180 -62.41 -58.1 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.41 -177.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.6 m -45.61 -12.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 1.0 111.404 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 15' ' ' ARG . 10.8 m -88.25 -38.34 15.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.81 0.338 . . . . 1.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -76.9 -26.12 53.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.755 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 tp -60.74 -40.66 85.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.601 -0.44 . . . . 1.0 110.471 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.493 ' C ' ' H ' ' A' ' 22' ' ' ALA . 70.5 m-85 -65.4 -63.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.455 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -49.49 -11.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.076 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' H ' ' C ' ' A' ' 20' ' ' PHE . . . -54.42 -38.26 66.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.084 -178.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 7.2 mp -70.48 -80.97 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 1.0 110.287 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.86 -116.5 4.26 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.406 -0.677 . . . . 1.0 111.406 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.484 ' CG ' HD22 ' A' ' 27' ' ' ASN . 18.8 p30 -59.3 163.77 3.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.03 0.443 . . . . 1.0 111.259 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -87.32 -23.34 24.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.81 -0.632 . . . . 1.0 111.945 -177.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.484 HD22 ' CG ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -70.91 -41.13 71.64 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.869 -0.332 . . . . 1.0 111.77 -175.693 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.01 -48.23 71.85 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.814 -0.355 . . . . 1.0 110.954 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.4 tt -60.75 -19.37 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.824 -0.351 . . . . 1.0 110.538 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -70.69 -30.72 67.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.069 0.461 . . . . 1.0 109.947 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.0 mt -67.53 -29.24 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.054 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.7 mmt -69.82 -31.26 69.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.369 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.17 -64.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.306 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.07 -54.63 15.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.158 0.504 . . . . 1.0 109.694 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.48 -47.71 38.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.365 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.8 t -43.77 -39.92 4.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.915 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.1 t -61.53 -63.53 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.45 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.45 ' HG ' ' N ' ' A' ' 39' ' ' GLU . 14.3 t -148.76 152.74 37.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.779 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.45 ' N ' ' HG ' ' A' ' 38' ' ' SER . 35.2 mt-10 -50.01 159.01 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.299 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' ' CZ ' ' A' ' 80' ' ' TYR . . . -157.23 143.54 17.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.787 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.2 p -97.34 170.25 9.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.325 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.0 t -45.62 -49.18 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.62 -44.68 96.64 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 121.254 -0.498 . . . . 1.0 112.201 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -68.43 -36.63 79.33 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.385 0.513 . . . . 1.0 112.385 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.5 pt -69.57 -23.6 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.286 -0.565 . . . . 1.0 110.64 -177.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 50' ' ' ASN . 10.1 t -49.97 -41.0 45.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 1.0 110.665 179.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -53.76 -11.33 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.713 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.428 ' H ' ' C ' ' A' ' 46' ' ' SER . 7.9 tp-100 -79.94 -57.4 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.931 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.2 mt -107.48 -29.54 9.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.45 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 46' ' ' SER . 7.9 t-20 64.09 34.17 11.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.935 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 mt -97.49 -157.41 0.59 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.305 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t -74.77 136.12 41.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.565 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -67.24 -18.11 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.685 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.1 t -79.86 -27.15 40.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.644 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -75.45 -44.29 45.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.885 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.0 m -68.37 -38.19 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.751 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.2 p -59.51 -65.65 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.572 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -41.58 -34.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 1.0 111.138 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -67.59 -52.58 36.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.713 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 tp -45.37 -30.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.692 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -71.37 -40.62 70.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.909 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.18 -43.12 96.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.904 -178.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.14 -24.43 65.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.477 -0.328 . . . . 1.0 110.912 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -67.52 -20.68 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.543 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.516 ' C ' ' H ' ' A' ' 67' ' ' HIS . 75.7 m -63.31 -57.87 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.794 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.6 m -69.39 9.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.51 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.516 ' H ' ' C ' ' A' ' 65' ' ' SER . 1.4 m-70 54.37 18.84 2.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.679 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.7 tp -65.22 -13.42 58.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.108 0.48 . . . . 1.0 110.011 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -151.14 179.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.221 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.472 ' NZ ' ' CB ' ' A' ' 70' ' ' LYS . 8.8 mtmp? -143.79 174.01 11.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.147 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.75 159.79 40.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.617 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -148.49 161.34 41.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.247 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 51.5 ttt85 -97.25 146.22 25.32 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.192 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 75' ' ' GLY . 19.9 tt0 -150.44 77.91 1.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.4 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 76' ' ' GLN . . . 31.84 103.02 0.01 OUTLIER Glycine 0 CA--C 1.526 0.776 0 CA-C-N 115.635 -0.711 . . . . 1.0 112.823 177.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 24.3 tp60 88.02 -60.1 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 122.704 0.402 . . . . 1.0 111.29 176.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.1 p -115.42 150.51 36.29 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.874 0.368 . . . . 1.0 110.699 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -113.75 98.86 7.29 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.268 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.529 ' N ' ' CD1' ' A' ' 79' ' ' ILE . 1.7 mp -78.24 162.14 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.159 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.45 ' N ' ' CG2' ' A' ' 79' ' ' ILE . 11.2 p90 -149.62 174.68 12.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.358 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 m -162.3 -169.72 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.638 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.408 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 9.2 mp -61.4 -106.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.354 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -159.05 -95.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.019 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -96.4 -75.23 0.54 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.188 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -178.16 -26.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.018 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -54.64 -62.29 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.462 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.5 m -45.38 -34.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.235 -176.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.55 -52.62 54.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 1.0 110.815 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.415 ' OG1' ' OE1' ' B' ' 93' ' ' GLN . 52.3 p -57.63 -39.95 78.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.89 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.5 ttm -45.64 -46.65 14.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.762 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.5 tp -57.56 -44.6 85.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.19 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.54 -61.27 2.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.274 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -44.93 -20.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.589 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -72.99 -64.26 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.968 -178.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.493 ' CD1' ' N ' ' A' ' 95' ' ' ILE . 1.6 mp -61.97 -5.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.633 -0.506 . . . . 1.0 109.633 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . 0.409 ' H ' ' C ' ' A' ' 94' ' ' ALA . 4.2 t60 -75.63 -47.48 26.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.516 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -61.14 -60.59 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.463 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.26 -31.55 6.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.627 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 51.3 t30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.915 -179.317 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 63.8 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.851 0.357 . . . . 1.0 110.581 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -71.73 -63.73 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.704 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.0 t -61.66 -28.82 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.77 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.0 tp -52.73 -59.03 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.57 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . 0.409 ' O ' ' OG1' ' B' ' 17' ' ' THR . 7.5 pt-20 -67.11 -19.64 65.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.244 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -65.85 -20.81 66.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.653 -0.419 . . . . 1.0 110.052 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 95.7 t -67.06 -23.6 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.334 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 72.4 p -86.03 -31.52 21.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.621 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.03 -37.38 87.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.429 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 20.2 pt -76.92 -32.42 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.205 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -70.1 -60.63 2.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.165 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -52.28 -21.85 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.509 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.16 -27.47 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.993 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -73.31 -72.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.613 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.22 -105.9 1.17 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.33 -0.708 . . . . 1.0 111.33 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -47.17 143.24 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 1.0 110.984 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.515 ' CE1' ' OD1' ' B' ' 27' ' ' ASN . 18.3 p90 -79.1 -27.59 42.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.682 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.515 ' OD1' ' CE1' ' B' ' 26' ' ' TYR . 5.2 m120 -56.22 -34.32 66.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.558 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -67.26 -24.25 65.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.696 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 44.6 mm -77.05 -29.21 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.899 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -67.24 -31.66 72.16 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.182 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.412 HD13 HG22 ' B' ' 31' ' ' ILE . 8.3 mm -65.27 -45.57 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.185 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 34.6 ttm -56.94 -39.86 75.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.733 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.402 ' O ' ' OG ' ' B' ' 36' ' ' SER . 76.4 tt0 -59.32 -35.31 73.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.644 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.86 -60.93 2.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.279 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 mt -50.02 -21.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.55 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.455 ' OG ' ' N ' ' B' ' 37' ' ' VAL . 14.0 p -68.36 -57.43 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.903 0.382 . . . . 1.0 110.4 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.455 ' N ' ' OG ' ' B' ' 36' ' ' SER . 19.8 t -55.8 -40.58 62.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.383 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 52.7 p -170.04 147.17 3.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.407 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 14.3 mp0 -62.53 164.59 7.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 1.0 110.638 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.13 142.48 17.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.418 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.503 ' OG ' ' CD2' ' B' ' 44' ' ' HIS . 62.4 p -83.93 -177.25 6.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.539 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.46 -60.92 2.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.741 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.89 -25.31 9.39 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.472 -0.651 . . . . 1.0 111.472 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.503 ' CD2' ' OG ' ' B' ' 41' ' ' SER . 17.5 m170 -75.27 -11.62 60.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.066 -0.253 . . . . 1.0 111.192 -178.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 9.3 tp -70.47 -26.11 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.968 0.413 . . . . 1.0 110.846 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -57.69 -17.38 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.13 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -78.98 -24.92 43.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.304 . . . . 1.0 110.751 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.5 ' NE2' ' N ' ' B' ' 48' ' ' GLN . 3.3 mp0 -88.52 -57.71 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.925 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 15.0 mt -98.16 -47.78 5.35 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.252 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 61.26 63.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.921 -0.399 . . . . 1.0 109.921 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 17.4 tp -134.71 -70.91 0.49 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.595 -177.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 70.6 m -157.43 133.06 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.47 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -74.67 -41.19 60.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 1.0 110.629 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.7 m -57.7 -34.51 69.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.664 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -63.63 -43.4 96.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.463 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 85.2 t -70.81 -35.84 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.901 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.439 ' HG ' ' N ' ' B' ' 58' ' ' HIS . 19.1 p -59.18 -34.83 72.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 1.0 110.551 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.439 ' N ' ' HG ' ' B' ' 57' ' ' SER . 3.8 m-70 -78.98 -34.89 43.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.763 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -75.79 -51.11 13.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.93 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.28 -34.84 34.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.02 0.438 . . . . 1.0 110.04 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -67.85 -35.57 78.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.911 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.09 -27.43 69.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.397 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.9 mt -79.33 -23.78 43.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.615 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -66.35 -31.84 72.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.543 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.433 ' C ' ' H ' ' B' ' 67' ' ' HIS . 89.5 p -51.6 -60.76 2.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.49 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.424 ' O ' ' CG2' ' B' ' 66' ' ' VAL . 2.6 p -67.2 0.31 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.254 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.433 ' H ' ' C ' ' B' ' 65' ' ' SER . 41.8 m80 55.5 21.39 4.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.859 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.24 -13.04 6.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.175 0.512 . . . . 1.0 109.739 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -147.73 177.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.116 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -154.38 132.69 11.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.489 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.83 156.72 17.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.418 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -118.25 139.2 51.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.096 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -88.75 128.31 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.341 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -152.67 88.58 1.35 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.255 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.13 -153.4 32.3 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -81.92 9.44 8.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.548 0.213 . . . . 1.0 110.906 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 53.0 m -129.45 150.12 50.94 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.924 0.392 . . . . 1.0 110.52 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -119.71 148.37 43.47 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.222 179.806 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 77.6 mt -124.28 147.66 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.11 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -118.53 150.05 40.29 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.623 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 13.4 m -159.17 -171.38 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.281 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 22.0 mt -74.22 158.68 33.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.494 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -66.66 -49.4 66.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.622 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -157.29 -164.55 1.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.346 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 16.4 pt -86.99 9.86 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.802 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -81.06 -73.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.708 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.0 m -45.97 -21.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.013 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.49 -61.48 2.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.716 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 71.3 m -62.65 -24.48 67.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.768 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' B' ' 90' ' ' MET . 8.5 tmm? -64.2 -57.52 9.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.428 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 30.0 tp -49.59 -40.81 40.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.43 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.22 -60.84 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.415 ' OE1' ' OG1' ' A' ' 89' ' ' THR . 8.4 tt0 -49.47 -20.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.07 -177.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.37 -67.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.735 0.303 . . . . 1.0 110.811 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.5 tt -52.02 -15.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.338 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -74.27 -42.03 60.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.437 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -65.54 -18.3 65.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.357 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.54 -72.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.494 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.344 179.022 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.825 0.345 . . . . 1.0 110.447 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -80.92 -18.49 46.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.45 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.8 m -76.61 -67.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.676 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.46 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 7.8 mp -50.4 -23.2 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 1.0 109.917 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -65.68 -55.73 15.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.403 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.5 ttm105 -66.61 -46.05 77.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.758 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.0 t -49.8 -16.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.764 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.2 m -91.71 -33.15 15.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.548 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -81.21 -20.46 41.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.156 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 20' ' ' PHE . 18.2 tt -59.35 -45.82 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.841 -0.343 . . . . 1.0 110.446 -179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.463 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 72.7 m-85 -70.22 -52.34 23.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.356 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -43.54 -35.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.289 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.57 -25.2 67.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.306 -0.407 . . . . 1.0 111.394 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.519 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 7.0 mp -93.04 20.17 7.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.347 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.68 -55.47 6.6 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -46.71 109.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 1.0 110.77 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -50.0 -42.22 48.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.186 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 24.1 p30 -67.02 -30.3 70.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.356 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.513 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 37.8 ttm180 -72.02 -44.64 63.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.455 -177.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.7 pt -67.53 -24.04 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.642 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -68.96 -29.17 67.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.668 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 mm -65.91 -66.45 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.767 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -43.87 -39.71 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.071 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.428 ' O ' ' OG ' ' A' ' 36' ' ' SER . 32.0 tt0 -53.38 -48.61 68.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.656 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.0 tp -57.49 -49.09 77.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.18 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.413 ' CD1' ' N ' ' A' ' 35' ' ' LEU . 9.7 mp -63.23 -8.02 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.467 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.525 ' OG ' ' N ' ' A' ' 37' ' ' VAL . 6.5 p -74.33 -61.67 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.428 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.525 ' N ' ' OG ' ' A' ' 36' ' ' SER . 18.1 t -63.81 -40.94 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.392 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 m -159.34 134.57 8.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.19 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 3.8 mp0 -49.2 175.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.374 . . . . 1.0 110.693 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.3 137.4 12.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.363 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.425 ' O ' ' CD1' ' A' ' 45' ' ' ILE . 90.0 p -84.62 -162.51 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.63 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.1 t -80.66 -64.73 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.61 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.01 -44.45 95.88 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.172 -0.537 . . . . 1.0 111.832 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -48.32 -28.06 2.91 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.758 -0.26 . . . . 1.0 111.45 -177.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' GLN . 86.8 mt -75.65 -34.64 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.885 -0.326 . . . . 1.0 110.932 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -44.43 -39.29 4.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.706 0.288 . . . . 1.0 111.111 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.625 ' HD1' ' N ' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -75.56 -19.85 59.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.919 -178.786 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' ILE . 86.3 mm-40 -77.74 -57.36 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.0 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -86.79 -7.33 58.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.87 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.419 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 1.7 m-20 50.59 79.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.213 -178.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 tp -172.32 -153.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.1 p -84.48 153.31 23.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.808 0.337 . . . . 1.0 110.293 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.54 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 3.5 pm0 -82.31 -17.36 46.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.894 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.9 p -76.55 -25.58 54.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.633 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.434 ' O ' ' OE1' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -62.3 -44.11 97.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.886 -179.177 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -77.15 -33.25 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.731 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 p -54.27 -33.81 59.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.415 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 61' ' ' LYS . 38.3 m-70 -74.78 -54.13 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.823 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.618 ' NE2' ' N ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -47.26 -42.33 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.219 -179.067 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.87 -19.48 61.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.552 -0.294 . . . . 1.0 110.772 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' HIS . 78.2 tttt -68.8 -42.41 77.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 1.0 110.347 179.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.86 -55.12 33.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.202 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 mt -48.98 -34.58 13.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.741 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -58.88 -34.58 71.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.535 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.9 t -71.58 -52.02 20.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.536 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.0 t -67.36 -9.88 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.418 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.463 ' C ' ' N ' ' A' ' 69' ' ' VAL . 47.2 m-70 59.85 10.04 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.973 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.8 tp -47.6 -17.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.98 0.419 . . . . 1.0 110.231 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.463 ' N ' ' C ' ' A' ' 67' ' ' HIS . 33.7 m -147.87 -178.93 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.377 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -130.76 174.02 10.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.209 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.47 159.34 38.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.332 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -137.08 147.04 45.84 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.381 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -90.88 133.6 35.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.492 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -149.33 102.6 3.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.186 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 70.46 -165.77 51.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.458 -1.057 . . . . 1.0 110.458 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.82 14.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 1.0 110.539 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.506 ' H ' ' C ' ' A' ' 75' ' ' GLY . 44.6 t -120.6 136.14 54.9 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.373 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.482 ' SD ' ' OH ' ' A' ' 80' ' ' TYR . 16.6 ttt -97.91 99.61 10.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.24 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.401 HG23 HD12 ' A' ' 79' ' ' ILE . 10.4 mm -81.5 152.45 4.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.063 0.459 . . . . 1.0 111.008 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.482 ' OH ' ' SD ' ' A' ' 78' ' ' MET . 70.7 m-85 -133.21 149.67 52.01 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.749 -0.659 . . . . 1.0 109.952 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 m -159.56 -171.35 3.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.515 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 8.6 mp -83.66 178.13 8.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.145 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -79.14 -105.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.342 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -107.92 -65.85 1.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.012 0.434 . . . . 1.0 110.256 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.7 tt -170.01 -24.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.573 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -49.4 -34.08 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.602 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.1 -40.19 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.752 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.06 -61.51 2.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.649 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 34.3 m -47.84 -38.3 15.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.794 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.1 ttt -55.54 -42.63 74.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.746 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.5 tp -60.75 -51.3 69.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.436 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -60.78 -61.37 2.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.815 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' B' ' 86' ' ' HIS . 45.0 tt0 -39.61 -33.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.701 -178.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.35 -66.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.319 . . . . 1.0 111.076 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.6 mm -54.83 -15.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.755 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -76.32 -38.49 55.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.865 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -80.96 -20.13 42.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.9 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.33 -70.69 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.826 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.432 HD22 HH22 ' B' ' 15' ' ' ARG . 5.6 m120 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.056 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.816 0.341 . . . . 1.0 110.593 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' B' ' 11' ' ' ASP . 5.2 m-20 -78.18 -39.38 40.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.511 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -61.8 -34.37 75.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.568 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' B' ' 13' ' ' LEU . 7.0 mp -70.8 -25.28 62.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.07 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -76.39 -37.5 57.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.722 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . 0.432 HH22 HD22 ' A' ' 99' ' ' ASN . 56.8 mtm180 -67.84 -57.04 6.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.914 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 29.5 m -46.28 -35.17 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.706 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 15.0 m -62.74 -39.19 93.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.755 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -63.09 -30.35 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.725 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 mm -71.09 -31.26 44.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.059 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -80.94 -65.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.531 -0.304 . . . . 1.0 111.29 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -48.03 -25.76 1.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.705 -0.398 . . . . 1.0 110.807 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.24 -28.6 69.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.935 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 mt -80.68 0.09 35.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.616 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.44 179.84 0.05 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.85 121.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.84 0.352 . . . . 1.0 110.579 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -67.81 -11.17 57.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.805 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -70.62 -43.54 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.939 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -73.04 -22.58 60.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.948 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 5.9 mm -73.27 -36.64 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.986 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -77.05 -34.61 57.18 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.905 -0.318 . . . . 1.0 110.953 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.38 -25.71 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.301 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 30.6 tpp -74.97 -30.09 61.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.504 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . 0.431 ' O ' ' OG ' ' B' ' 36' ' ' SER . 70.7 mt-10 -59.79 -35.46 74.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.487 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.469 ' CD2' ' N ' ' B' ' 34' ' ' LEU . 3.4 mm? -67.0 -55.04 16.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.324 179.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.74 -13.49 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.764 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' B' ' 37' ' ' VAL . 11.8 p -81.64 -59.49 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.857 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.485 ' N ' ' OG ' ' B' ' 36' ' ' SER . 32.1 m -67.18 -38.49 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.031 -178.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.456 ' HG ' ' N ' ' B' ' 39' ' ' GLU . 28.1 t -169.45 147.73 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.863 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.456 ' N ' ' HG ' ' B' ' 38' ' ' SER . 12.3 pt-20 -69.65 164.31 23.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.614 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.2 153.37 29.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.439 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' SER . . . . . 0.487 ' HG ' ' CG ' ' B' ' 44' ' ' HIS . 87.8 p -93.18 169.61 10.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.355 179.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 93.6 t -56.19 -55.55 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.965 0.412 . . . . 1.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.1 -37.48 92.89 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.731 -0.747 . . . . 1.0 111.288 -178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.487 ' CG ' ' HG ' ' B' ' 41' ' ' SER . 0.5 OUTLIER -72.94 -39.35 66.29 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.329 0.492 . . . . 1.0 112.329 -175.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 20.9 tt -76.48 -16.06 14.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.469 -0.492 . . . . 1.0 110.968 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.406 ' O ' ' N ' ' B' ' 50' ' ' ASN . 91.0 p -60.48 -28.0 68.01 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.701 -0.4 . . . . 1.0 110.497 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -70.28 -13.5 62.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.482 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -89.56 -54.1 4.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.358 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' B' ' 49' ' ' LEU . 3.4 mm? -77.34 -37.29 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.043 -0.355 . . . . 1.0 110.043 178.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' B' ' 46' ' ' SER . 44.9 t-20 56.61 67.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.385 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' B' ' 52' ' ' SER . 15.3 tp -174.15 107.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.336 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.43 ' C ' ' O ' ' B' ' 51' ' ' LEU . 41.8 t 5.61 112.71 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.729 1.268 . . . . 1.0 113.934 -177.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -38.76 -38.82 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.657 -0.702 . . . . 1.0 111.641 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 17.3 t -44.08 -32.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.924 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -68.11 -42.83 79.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.843 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 89.8 t -74.31 -40.6 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.969 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 18.7 m -49.25 -35.03 16.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.951 0.405 . . . . 1.0 110.386 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -74.77 -58.15 3.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.875 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -42.4 -57.57 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.386 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' B' ' 60' ' ' LEU . 7.6 mp -59.74 -22.91 62.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.931 -178.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -68.75 -40.76 79.66 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.69 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 9.9 mp -64.34 -48.11 76.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.486 -0.324 . . . . 1.0 110.196 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 16.1 mt -56.36 -35.55 67.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -55.07 -41.06 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.759 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 25.1 p -63.22 -51.89 64.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.601 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.6 t -66.73 -5.84 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.482 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 27.0 m80 57.37 13.01 1.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.799 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -15.45 4.53 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.459 -0.571 . . . . 1.0 109.459 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.4 m -153.11 -173.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.893 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -155.95 174.79 14.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 1.0 110.854 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -147.55 169.48 19.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.056 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -148.88 160.28 43.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.917 0.389 . . . . 1.0 110.915 -178.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -91.41 138.46 31.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.894 -0.594 . . . . 1.0 109.646 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -152.91 89.2 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 1.0 110.689 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 69.95 56.6 7.92 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 54.26 7.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.311 . . . . 1.0 110.628 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' SER . . . . . 0.522 ' H ' ' C ' ' B' ' 75' ' ' GLY . 8.5 t -113.68 109.61 18.86 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.428 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' MET . . . . . 0.418 ' SD ' ' N ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -86.33 137.99 32.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.409 179.548 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.8 pt -138.83 160.78 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.077 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -118.11 147.85 42.89 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.918 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 56.5 m -153.41 -177.97 6.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.059 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.1 179.39 7.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.84 0.352 . . . . 1.0 110.507 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.6 -69.24 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.179 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -146.03 -71.54 0.25 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.976 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 pt -155.25 -35.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.451 -0.34 . . . . 1.0 110.405 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.515 ' O ' ' NE2' ' A' ' 93' ' ' GLN . 14.7 m170 -47.82 -47.04 31.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.619 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.46 -46.44 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.649 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.93 -46.43 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.866 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 8.6 m -62.36 -31.3 71.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.571 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 55.1 ttm -61.41 -31.28 71.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.553 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.36 -46.45 76.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.336 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' B' ' 92' ' ' LYS . 3.3 mptp? -72.5 -62.57 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.396 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -37.35 -35.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.752 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.77 -66.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.66 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.8 mm -59.74 -10.86 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.58 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -76.43 -47.16 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.935 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -77.73 -12.39 59.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.78 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.15 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.518 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.233 178.842 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.782 0.325 . . . . 1.0 110.864 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.18 -36.39 77.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.993 0.425 . . . . 1.0 110.439 179.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' GLU . 70.2 p -72.55 -54.6 8.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.605 -179.887 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.5 tp -39.98 -26.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.084 -179.074 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' THR . 51.5 mt-10 -80.39 -47.17 14.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.56 179.177 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' THR . 49.8 mtm180 -73.89 -21.36 60.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.037 -178.566 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 76.8 t -71.87 -28.59 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.903 -178.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 t -91.48 -31.31 16.02 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.667 0.27 . . . . 1.0 110.957 -179.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.53 -15.44 62.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.495 -0.32 . . . . 1.0 111.024 -178.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 20' ' ' PHE . 13.5 tt -68.42 -41.98 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 1.0 110.619 -179.214 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.408 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 45.0 m-85 -74.6 -55.61 5.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.03 -178.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -46.09 -40.64 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.036 -178.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.82 -21.48 4.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.852 -178.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -95.83 13.53 26.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.868 -179.147 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.27 70.97 1.81 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -165.82 107.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.752 0.31 . . . . 1.0 110.26 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 27.4 p90 -43.63 -44.93 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.073 -179.266 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.537 ' N ' ' CD2' ' A' ' 26' ' ' TYR . 3.9 t-20 -52.24 -32.58 37.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.953 -179.392 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.409 ' HE ' ' NE2' ' A' ' 59' ' ' GLN . 12.3 tpp85 -75.79 -52.05 11.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.401 -177.556 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.472 ' CD1' ' H ' ' A' ' 29' ' ' ILE . 1.9 mp -46.2 -40.35 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.895 -0.322 . . . . 1.0 110.501 -177.199 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.523 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 26.9 ttm105 -72.33 -33.11 67.1 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.717 -0.393 . . . . 1.0 111.083 -177.769 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.9 mt -72.65 -39.14 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.368 178.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.6 ttt -64.34 -39.06 93.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.701 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' OG ' ' A' ' 36' ' ' SER . 34.5 tt0 -57.71 -33.98 68.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.993 0.425 . . . . 1.0 110.354 179.509 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 36' ' ' SER . 2.2 tt -67.7 -65.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.369 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.7 mt -47.36 -16.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.73 -178.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 34' ' ' LEU . 5.5 p -69.88 -50.67 40.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.356 . . . . 1.0 110.187 178.906 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.1 t -66.31 -61.58 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.474 179.109 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.6 m -147.0 154.14 40.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.827 -178.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 13.7 mp0 -62.48 168.26 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.702 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.12 144.6 18.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.536 179.534 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 m -81.41 168.71 18.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.254 178.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -54.76 -56.81 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.794 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.29 -34.42 87.96 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.698 -0.561 . . . . 1.0 111.698 -177.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.523 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 7.1 t-80 -59.44 -26.88 65.57 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.749 -0.381 . . . . 1.0 110.819 -178.181 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.4 mt -74.33 -23.11 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.884 -179.055 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 50' ' ' ASN . 63.6 m -56.63 -11.84 1.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.925 -0.31 . . . . 1.0 111.306 -178.071 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.668 ' HD1' ' N ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -92.77 -17.29 24.35 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.829 0.347 . . . . 1.0 110.785 -178.865 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.668 ' N ' ' HD1' ' A' ' 47' ' ' HIS . 59.5 tt0 -72.67 -56.0 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.03 -178.019 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.2 tp -161.28 -33.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.407 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 46' ' ' SER . 4.3 m120 -83.17 168.09 17.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.168 179.012 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -150.63 32.08 0.64 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.098 0.475 . . . . 1.0 110.983 -177.748 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.8 t -149.2 97.59 2.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.346 177.413 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -50.37 -22.04 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.137 -178.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -80.29 -37.64 32.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.107 -178.592 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -68.9 -41.72 77.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.246 -177.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.3 m -72.78 -31.12 35.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.909 -0.316 . . . . 1.0 110.8 -178.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.4 m -58.51 -66.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 1.0 110.437 179.211 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' A' ' 58' ' ' HIS . 2.5 m-70 -45.59 -35.19 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.409 ' NE2' ' HE ' ' A' ' 28' ' ' ARG . 41.3 tt0 -66.15 -63.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.709 -179.168 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.2 mt -48.67 -24.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.693 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -70.24 -38.02 75.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.686 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.63 -32.94 73.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.163 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.4 mp -73.41 -24.88 60.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.264 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -62.06 -34.39 76.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.55 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.1 t -69.13 -31.14 69.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.505 179.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 t -78.87 3.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 7.7 m80 67.49 10.45 7.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.466 178.005 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.431 ' O ' ' OD2' ' A' ' 83' ' ' ASP . 66.8 mt -75.93 -112.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.431 179.459 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.9 m -46.56 164.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 1.0 110.898 -179.107 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -151.77 142.07 22.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.008 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.85 141.07 36.28 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.923 0.392 . . . . 1.0 110.851 -178.278 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -102.28 129.4 48.69 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.186 178.296 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -82.23 114.39 20.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.851 -179.655 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 76' ' ' GLN . 92.8 mt-30 -122.75 134.85 54.43 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.182 179.319 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.69 70.61 0.02 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.178 -0.769 . . . . 1.0 111.178 -179.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 74' ' ' GLN . 9.2 pt20 174.68 -57.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.492 -0.559 . . . . 1.0 109.492 177.913 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.555 ' HG ' ' H ' ' A' ' 78' ' ' MET . 7.9 t -154.26 179.46 8.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.799 -179.425 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.555 ' H ' ' HG ' ' A' ' 77' ' ' SER . 10.2 ptt? -114.2 144.64 42.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.145 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.0 pt -138.94 161.84 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.234 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -122.83 156.5 34.43 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.181 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 42.3 t -158.97 -166.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.503 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.426 ' N ' ' OG ' ' A' ' 81' ' ' SER . 20.6 mt -78.99 162.14 26.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.797 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 68' ' ' LEU . 1.2 m-20 -79.68 -63.22 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.575 179.858 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.532 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 19.7 t0 -165.22 -165.65 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.2 -179.384 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.532 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 26.8 pt -76.83 26.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.3 . . . . 1.0 110.931 -179.255 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.473 ' H ' ' C ' ' A' ' 84' ' ' ASP . 11.4 m-70 -111.83 -36.76 5.33 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.863 0.363 . . . . 1.0 110.415 -179.665 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.9 p -86.54 -36.11 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.802 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.57 91.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.857 -178.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.5 p -76.53 -33.49 58.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.696 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 42.9 ttp -69.15 -35.62 76.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.873 -178.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.8 tp -64.72 -52.45 57.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.3 -179.553 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.96 -57.0 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.831 -179.22 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -43.42 -27.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.05 -178.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.45 -66.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 1.0 110.681 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.1 mt -57.23 -27.75 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.396 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -55.88 -51.18 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.485 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -51.76 -59.82 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.559 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.72 -56.75 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.691 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.711 -179.505 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 75.4 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.9 0.381 . . . . 1.0 110.536 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -66.44 -35.64 80.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.443 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.5 p -76.09 -46.0 31.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.816 -179.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 18.0 tp -52.79 -16.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.365 -179.19 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.21 -44.77 12.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.332 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.53 -49.69 76.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.294 -178.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 15.1 m -47.11 -20.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.968 -177.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 8.6 p -91.31 -39.0 12.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.794 0.331 . . . . 1.0 110.841 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -68.53 -22.65 64.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.669 -176.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 pt -73.1 -29.25 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.612 -0.435 . . . . 1.0 110.91 -178.621 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -76.26 -63.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.324 . . . . 1.0 110.851 -179.672 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -49.74 -23.67 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.875 -179.205 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.3 -31.1 42.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.235 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 pp -119.06 39.13 3.62 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.71 0.29 . . . . 1.0 110.937 -178.636 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.49 -72.32 0.78 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.124 -0.79 . . . . 1.0 111.124 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -45.27 140.84 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 1.0 110.825 -179.351 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -66.19 -11.03 47.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.88 -178.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -84.08 -44.21 14.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 1.0 111.152 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -29.86 67.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.593 -178.306 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 14.0 tt -79.73 -27.73 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.902 -0.319 . . . . 1.0 111.108 -178.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -71.15 -32.9 69.52 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.06 -0.256 . . . . 1.0 111.022 -178.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 19.3 pt -74.76 -29.76 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.062 179.252 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' B' ' 32' ' ' MET . 0.6 OUTLIER -71.8 -40.24 69.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.293 179.041 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -58.48 -35.16 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.806 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 28.7 tp -66.22 -41.88 89.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.475 -179.241 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 36.5 mt -69.15 -9.45 52.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -80.47 -42.43 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.356 . . . . 1.0 110.247 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' B' ' 38' ' ' SER . 60.1 t -81.39 -37.01 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.716 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 74.5 m -168.54 152.25 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.788 -179.559 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -70.65 161.58 30.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.785 -179.905 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.19 147.38 20.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.634 -179.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.4 m -82.06 165.95 20.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.526 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 46.2 t -54.28 -55.59 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.915 -179.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.58 -26.9 67.22 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.057 -0.817 . . . . 1.0 111.057 -179.11 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' HIS . . . . . 0.431 ' ND1' ' O ' ' B' ' 44' ' ' HIS . 62.1 t-80 -72.99 -20.58 61.0 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.057 -0.257 . . . . 1.0 111.053 -178.802 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 93.8 mt -84.69 -27.87 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.6 0.238 . . . . 1.0 110.688 -179.645 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.529 ' HG ' ' N ' ' B' ' 47' ' ' HIS . 93.5 p -48.22 -44.36 33.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 1.0 110.864 -179.008 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 47' ' ' HIS . . . . . 0.529 ' N ' ' HG ' ' B' ' 46' ' ' SER . 3.8 t60 -57.88 -15.15 7.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.875 -179.147 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -84.0 -49.8 8.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.59 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 71.9 mt -137.29 49.19 2.02 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.499 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' B' ' 46' ' ' SER . 64.1 t30 39.81 -123.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.644 177.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.455 ' H ' ' CG ' ' B' ' 50' ' ' ASN . 10.6 mp 48.36 -168.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.651 -0.499 . . . . 1.0 109.651 -178.018 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 63.7 m -151.75 176.23 11.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.01 0.433 . . . . 1.0 111.054 -178.284 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.433 ' O ' ' OG ' ' B' ' 57' ' ' SER . 9.9 tt0 -46.87 -37.09 8.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.604 -0.726 . . . . 1.0 111.3 -178.687 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.0 p -54.86 -54.42 42.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 1.0 111.035 -178.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -75.82 -40.15 55.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.141 -178.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.79 -42.18 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.363 -177.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' B' ' 53' ' ' GLN . 89.9 p -61.68 -29.89 70.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 1.0 110.594 -179.403 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -43.65 32.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.252 179.196 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.25 -47.8 80.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.43 179.038 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -35.47 64.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.327 -179.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -58.86 -31.98 69.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.98 -44.3 69.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' B' ' 63' ' ' LEU . 7.7 mp -61.48 -35.45 77.68 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.103 -0.332 . . . . 1.0 110.103 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -55.44 -46.04 76.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.578 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.409 ' C ' ' H ' ' B' ' 67' ' ' HIS . 10.3 t -53.0 -47.94 67.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.604 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.3 t -62.22 -6.12 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.332 179.685 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . 0.493 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 56.5 t-80 61.67 14.7 6.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.294 -179.73 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tp -79.11 -13.46 59.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.538 -179.276 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 56.1 t -141.9 159.94 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 120.883 0.373 . . . . 1.0 110.75 -178.816 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -138.51 152.91 48.67 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.123 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.71 119.74 39.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.865 0.364 . . . . 1.0 110.683 -178.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -97.51 119.89 36.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.311 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 63.8 mtt85 -80.0 110.88 15.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.552 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -137.33 93.18 2.78 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.118 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.43 -155.57 53.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.519 -1.032 . . . . 1.0 110.519 -178.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -73.42 -8.18 54.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 1.0 110.631 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 90.3 p -97.37 133.84 41.44 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.764 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 75.4 mtp -97.94 91.04 5.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.258 178.831 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 44.7 mt -82.54 145.05 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.986 0.422 . . . . 1.0 110.888 -178.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -120.47 153.78 36.15 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.01 178.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 13.2 m -161.15 -166.54 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.703 -179.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 22.2 mt -78.55 166.06 23.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.518 -179.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.42 -42.04 17.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.981 -179.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -158.31 -81.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.774 0.321 . . . . 1.0 111.538 -178.358 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 18.5 pt -158.51 -34.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.44 -179.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -50.67 -31.08 15.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.817 -178.139 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 6.9 t -65.13 -45.65 93.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.741 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.06 -60.4 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.969 -178.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 72.6 p -45.75 -22.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.057 -178.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 90' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' B' ' 90' ' ' MET . 1.6 tmt? -74.38 -65.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.749 -178.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.5 tp -49.99 -30.69 11.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.948 -178.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . 0.481 ' HZ1' ' CD2' ' B' ' 96' ' ' HIS . 55.2 tttm -66.58 -69.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.151 -178.429 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -53.45 -17.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.651 -176.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.36 -64.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 1.0 110.856 -179.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 69.9 mt -56.01 -18.25 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.496 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 96' ' ' HIS . . . . . 0.481 ' CD2' ' HZ1' ' B' ' 92' ' ' LYS . 0.7 OUTLIER -76.92 -35.96 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.852 -179.521 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -61.59 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.529 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -43.01 -76.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.807 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 99' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.306 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.618 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.373 -0.602 . . . . 4.09 109.373 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -53.79 -31.27 48.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 2.66 110.626 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -63.29 -43.09 98.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 2.81 110.618 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.907 ' O ' HG22 ' A' ' 16' ' ' VAL . 1.3 p -63.15 -51.24 67.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 2.55 110.579 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 tp -52.27 -34.52 46.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 2.48 110.594 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.95 -39.72 69.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 2.92 110.607 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' C ' ' N ' ' A' ' 17' ' ' THR . 1.7 ttm180 -68.27 -49.69 58.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 3.81 110.593 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 12' ' ' THR . 2.6 t -47.14 -16.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 1.98 110.574 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.459 ' N ' ' C ' ' A' ' 15' ' ' ARG . 96.1 m -91.34 -36.8 13.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 2.07 110.604 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.76 -27.76 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 2.79 110.575 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.46 HD12 HG22 ' A' ' 19' ' ' ILE . 3.2 mt -56.35 -64.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 2.19 110.61 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.632 ' O ' ' N ' ' A' ' 23' ' ' LEU . 89.2 m-85 -50.61 -64.26 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 2.51 110.622 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.559 ' C ' ' H ' ' A' ' 23' ' ' LEU . 12.8 tttt -37.45 -46.04 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 3.53 110.607 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.5 -3.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 1.52 110.619 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.676 ' O ' ' O ' ' A' ' 24' ' ' GLY . 30.8 mt -110.42 -8.19 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 2.27 110.558 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.676 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -33.86 -107.66 0.0 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.922 -0.871 . . . . 2.15 110.922 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.644 ' C ' ' O ' ' A' ' 24' ' ' GLY . 23.8 m-20 -16.3 123.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 2.34 110.606 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' ILE . 3.7 p90 -74.36 -34.88 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 4.73 110.591 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.665 ' OD1' HD21 ' A' ' 49' ' ' LEU . 56.2 t-20 -41.69 -39.3 1.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 3.01 110.61 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.791 ' HD3' HD22 ' A' ' 63' ' ' LEU . 9.8 ttm180 -74.84 -35.91 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 4.84 110.649 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' TYR . 5.1 mm -50.33 -43.5 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 2.36 110.579 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 1.1 HH21 HD13 ' A' ' 49' ' ' LEU . 8.3 ttp180 -63.66 -48.01 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 3.95 110.624 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.3 mt -53.96 -35.86 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 1.77 110.587 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -36.77 83.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 2.94 110.601 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -64.73 -35.68 81.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 2.22 110.617 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.961 HD13 ' C ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -64.56 -55.69 18.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 2.49 110.583 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.55 -35.0 67.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 2.37 110.597 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.4 t -54.69 -50.65 67.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 2.06 110.617 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.09 -41.25 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 1.99 110.625 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.25 134.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 2.08 110.62 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' H ' ' HG2' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -45.65 169.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 2.53 110.554 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -159.79 151.26 19.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 1.45 110.604 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -86.58 172.61 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 1.73 110.58 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.3 -65.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 2.21 110.614 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.24 -31.19 62.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.848 -0.901 . . . . 0.97 110.848 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -61.46 -43.32 99.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.348 . . . . 3.58 110.59 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.598 ' O ' HG21 ' A' ' 45' ' ' ILE . 14.3 mt -62.81 -32.14 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 2.48 110.604 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 1.167 ' O ' ' CA ' ' A' ' 50' ' ' ASN . 17.5 t -39.14 -36.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 2.12 110.641 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 48' ' ' GLN . 1.0 OUTLIER -58.69 -61.58 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 4.51 110.628 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.581 ' NE2' ' CD2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -36.19 -72.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 3.08 110.645 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 1.1 HD13 HH21 ' A' ' 30' ' ' ARG . 0.8 OUTLIER -105.0 -17.81 14.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 3.18 110.61 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 1.167 ' CA ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER 47.46 169.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 5.98 110.554 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 1.064 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 1.2 mp 136.87 -117.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 3.61 110.606 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.451 ' H ' ' HB3' ' A' ' 51' ' ' LEU . 39.5 t -121.38 125.72 47.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 2.23 110.561 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.402 ' H ' ' HG3' ' A' ' 53' ' ' GLN . 3.6 mt-30 -54.2 -35.62 62.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 3.11 110.618 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.66 -27.33 62.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 2.29 110.571 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -74.14 -41.7 61.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 2.78 110.65 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.54 -46.22 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 2.43 110.652 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.8 p -53.8 -46.65 71.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 2.01 110.559 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.32 -48.58 73.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 3.24 110.568 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.709 ' O ' ' N ' ' A' ' 62' ' ' LEU . 1.1 tt0 -60.98 -69.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 3.03 110.641 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.816 ' CD2' ' CE2' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -35.85 -29.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 2.3 110.596 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 59' ' ' GLN . 22.3 tttp -72.0 -30.83 65.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 3.35 110.615 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.709 ' N ' ' O ' ' A' ' 59' ' ' GLN . 1.1 tp -73.02 -47.06 48.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 2.83 110.584 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.791 HD22 ' HD3' ' A' ' 28' ' ' ARG . 7.9 mt -63.56 -24.54 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 2.01 110.587 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -70.75 -23.93 62.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 2.79 110.631 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.8 t -78.63 -25.86 45.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 2.37 110.639 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.63 ' O ' ' HB2' ' A' ' 67' ' ' HIS . 3.7 t -83.12 -17.95 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 2.17 110.567 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.63 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER 80.83 25.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 4.33 110.619 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.77 -26.46 17.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 2.36 110.608 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.68 HG22 ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -121.51 165.31 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 2.3 110.608 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.2 130.43 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 3.28 110.611 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.31 148.17 30.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 1.66 110.569 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -133.06 159.0 41.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 4.29 110.619 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -98.42 135.87 39.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 4.58 110.62 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -149.09 86.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 2.68 110.591 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.93 -108.03 2.94 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.848 -0.901 . . . . 1.97 110.848 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -125.76 11.05 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 4.67 110.613 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -130.04 131.49 45.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 2.08 110.614 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.463 ' H ' ' HG3' ' A' ' 78' ' ' MET . 0.0 OUTLIER -87.6 117.02 26.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 3.61 110.598 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -100.52 142.1 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 2.3 110.623 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.816 ' CE2' ' CD2' ' A' ' 60' ' ' LEU . 24.9 m-85 -106.69 -173.98 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 3.8 110.611 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.723 ' HB3' ' O ' ' A' ' 80' ' ' TYR . 0.3 OUTLIER 160.4 160.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 1.79 110.599 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 82' ' ' LEU . 1.7 mt -54.33 170.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 2.51 110.619 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.658 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 41.1 t0 -89.03 -48.52 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 3.02 110.61 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.658 ' OD1' ' O ' ' A' ' 83' ' ' ASP . 75.0 m-20 -148.94 -151.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 2.43 110.568 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.476 ' H ' ' HB3' ' A' ' 84' ' ' ASP . 1.5 pt -103.39 8.74 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 2.82 110.595 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -83.19 -39.54 20.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.55 110.607 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -41.5 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 2.33 110.578 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.34 -58.53 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 1.49 110.573 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.528 ' OG1' ' OE1' ' B' ' 93' ' ' GLN . 3.6 p -54.63 -56.02 23.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 2.29 110.628 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' THR . 0.8 OUTLIER -38.43 -59.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 2.85 110.651 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.735 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 7.0 tp -48.75 -49.07 40.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 2.48 110.626 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.662 ' O ' ' N ' ' A' ' 94' ' ' ALA . 15.2 mttm -59.78 -76.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 3.59 110.63 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.497 ' C ' ' O ' ' A' ' 92' ' ' LYS . 0.6 OUTLIER -31.59 -29.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 3.0 110.6 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.735 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -63.0 -57.78 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 1.29 110.572 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.456 HD11 HG11 ' B' ' 16' ' ' VAL . 2.4 mm -64.3 -23.72 34.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 2.26 110.569 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -70.41 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 3.52 110.624 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -49.47 -42.37 42.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.619 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.85 -46.91 86.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 1.59 110.586 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.996 ' O ' ' HD2' ' A' ' 101' ' ' PRO . 0.4 OUTLIER -101.95 78.06 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 3.18 110.628 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.656 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 0.5 OUTLIER -95.6 40.06 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 3.1 110.639 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 1.039 ' O ' ' O ' ' A' ' 102' ' ' LYS . 56.9 Cg_endo -74.12 10.77 1.35 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.817 2.345 . . . . 4.62 112.316 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 1.232 ' C ' ' OE1' ' A' ' 103' ' ' GLU . 0.0 OUTLIER 17.92 -165.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 7.18 110.614 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 1.232 ' OE1' ' C ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.009 -0.996 . . . . 8.8 110.623 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 29.5 m120 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.408 -0.59 . . . . 3.86 109.408 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 78.1 p -45.06 -30.73 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 2.98 110.574 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -55.22 37.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 2.64 110.615 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.656 ' O ' HG23 ' B' ' 16' ' ' VAL . 80.6 p -58.3 -51.18 70.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 2.68 110.603 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' B' ' 13' ' ' LEU . 1.0 OUTLIER -45.72 -48.06 15.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 2.46 110.608 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.59 ' O ' ' OG1' ' B' ' 17' ' ' THR . 9.0 tt0 -57.6 -39.34 76.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 2.63 110.593 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.938 ' O ' ' N ' ' B' ' 17' ' ' THR . 4.0 mtm-85 -64.78 -73.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 4.59 110.594 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 12' ' ' THR . 0.1 OUTLIER -24.84 -25.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 2.25 110.566 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.938 ' N ' ' O ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -82.01 -40.36 22.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 2.04 110.595 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.77 ' N ' ' O ' ' B' ' 15' ' ' ARG . 1.5 tt0 -63.93 -26.76 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 2.73 110.572 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.666 ' O ' ' HB2' ' B' ' 22' ' ' ALA . 1.5 mt -59.47 -64.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 2.36 110.618 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.649 ' O ' ' N ' ' B' ' 22' ' ' ALA . 74.0 m-85 -49.75 -74.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 2.35 110.586 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -35.53 -23.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 3.3 110.633 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.666 ' HB2' ' O ' ' B' ' 19' ' ' ILE . . . -71.12 -3.86 22.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 1.48 110.574 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.935 ' O ' ' O ' ' B' ' 24' ' ' GLY . 6.2 mt -114.26 -10.29 12.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 2.37 110.601 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.935 ' O ' ' O ' ' B' ' 23' ' ' LEU . . . -18.88 -122.23 0.0 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.883 -0.887 . . . . 1.89 110.883 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.782 ' O ' ' O ' ' B' ' 24' ' ' GLY . 70.4 m-20 -12.76 139.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 2.16 110.629 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.951 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 0.0 OUTLIER -81.86 -26.33 34.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 4.62 110.623 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.693 ' H ' ' HD1' ' B' ' 26' ' ' TYR . 11.9 t30 -46.49 -40.55 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 2.96 110.588 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -73.78 -45.07 53.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 3.69 110.596 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.517 HD13 HG21 ' B' ' 29' ' ' ILE . 6.2 mt -46.51 -33.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 1.98 110.638 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.67 -45.29 53.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 3.59 110.607 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 84.1 mt -55.53 -36.86 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 1.66 110.585 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' MET . . . . . 0.841 ' HE3' HD23 ' B' ' 68' ' ' LEU . 0.0 OUTLIER -67.94 -44.07 77.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 2.97 110.635 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.625 ' O ' HG22 ' B' ' 37' ' ' VAL . 11.6 tt0 -59.15 -28.27 66.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 2.11 110.625 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.959 ' O ' HD12 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -74.6 -39.33 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 2.54 110.588 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 63.6 mt -71.26 -35.78 71.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 2.04 110.637 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.414 ' HA ' HD13 ' B' ' 82' ' ' LEU . 0.2 OUTLIER -57.59 -47.42 82.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 2.26 110.592 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.625 HG22 ' O ' ' B' ' 33' ' ' GLU . 7.0 t -64.54 -42.35 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 2.15 110.585 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.9 t -171.18 138.99 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 1.83 110.606 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.441 ' H ' ' HG2' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -55.5 165.53 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 2.48 110.631 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.83 152.13 22.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 1.5 110.598 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.03 -176.29 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 2.08 110.63 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 t -68.43 -55.25 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 2.05 110.602 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.518 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -63.49 -38.93 97.08 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -54.14 -42.11 69.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 3.94 110.599 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.585 ' O ' ' N ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -59.27 -36.1 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 2.67 110.586 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.763 ' O ' ' HA ' ' B' ' 50' ' ' ASN . 73.0 p -40.69 -34.79 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 1.97 110.612 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -30.03 70.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 4.3 110.638 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 1.027 ' HA ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -64.87 -77.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 3.52 110.601 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' B' ' 50' ' ' ASN . 13.9 mt -92.84 -21.7 19.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 3.07 110.612 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 1.04 ' O ' ' HG ' ' B' ' 51' ' ' LEU . 27.7 t-20 54.8 130.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 5.2 110.633 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 1.04 ' HG ' ' O ' ' B' ' 50' ' ' ASN . 1.5 mt 166.24 -130.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 3.41 110.604 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.574 ' O ' ' HB2' ' B' ' 55' ' ' ASN . 0.4 OUTLIER -106.46 120.41 41.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 2.45 110.58 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.523 ' H ' ' HG3' ' B' ' 53' ' ' GLN . 10.3 mt-30 -47.06 -42.1 18.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 3.11 110.622 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.423 ' O ' ' HB2' ' B' ' 58' ' ' HIS . 7.2 p -53.4 -29.27 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 1.92 110.597 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.574 ' HB2' ' O ' ' B' ' 52' ' ' SER . 0.9 OUTLIER -68.96 -46.75 67.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 3.05 110.589 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 37.8 t -67.73 -50.77 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 1.88 110.562 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -27.6 39.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 1.84 110.606 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' B' ' 54' ' ' SER . 3.4 t-80 -73.32 -54.07 9.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 3.98 110.624 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' B' ' 62' ' ' LEU . 1.0 OUTLIER -63.38 -54.27 39.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 2.65 110.603 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.721 ' CD2' ' CE2' ' B' ' 80' ' ' TYR . 11.9 tp -43.81 -21.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 2.33 110.612 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' B' ' 59' ' ' GLN . 13.7 ttmt -78.6 -35.66 45.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 3.15 110.569 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' B' ' 59' ' ' GLN . 17.1 mt -65.05 -46.82 79.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 2.61 110.633 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.87 -19.21 63.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 2.33 110.591 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -79.05 -21.32 47.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 2.99 110.577 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.0 t -73.94 -26.63 60.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 2.0 110.592 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.902 ' O ' ' HB2' ' B' ' 67' ' ' HIS . 2.0 t -85.96 -24.76 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 2.26 110.585 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.902 ' HB2' ' O ' ' B' ' 66' ' ' VAL . 44.7 m80 92.61 6.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 4.25 110.569 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.841 HD23 ' HE3' ' B' ' 32' ' ' MET . 0.1 OUTLIER -66.5 -34.93 79.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 2.43 110.601 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.95 168.33 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 2.24 110.597 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -146.84 148.32 31.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 3.33 110.573 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.3 153.75 30.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.49 110.566 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -136.62 169.14 18.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 3.59 110.626 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -112.44 135.18 53.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 4.7 110.627 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.14 82.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 2.67 110.645 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.28 -86.75 1.49 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.87 -0.892 . . . . 2.09 110.87 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -148.34 10.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 3.58 110.648 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.17 126.42 50.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 2.19 110.624 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -82.66 107.81 15.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 3.26 110.622 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.63 143.01 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 2.42 110.594 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.721 ' CE2' ' CD2' ' B' ' 60' ' ' LEU . 25.5 m-85 -113.71 153.97 28.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 3.17 110.57 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.88 172.75 15.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 1.83 110.576 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' B' ' 36' ' ' SER . 15.8 mt -65.44 172.6 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 2.4 110.603 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.21 -42.56 13.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 3.48 110.617 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -162.93 -146.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 3.06 110.592 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -107.35 15.74 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 2.67 110.599 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -91.43 -43.67 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 2.47 110.561 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.411 HG22 ' H ' ' B' ' 87' ' ' VAL . 0.0 OUTLIER -64.21 -44.64 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 2.32 110.586 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.47 -54.45 26.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 1.48 110.588 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -54.94 41.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 2.05 110.612 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.3 ttt -42.42 -59.15 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 2.44 110.616 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . 0.401 ' O ' ' HB1' ' B' ' 94' ' ' ALA . 5.2 tp -50.5 -44.98 56.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 2.23 110.594 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.53 ' HZ2' ' HG2' ' B' ' 92' ' ' LYS . 0.0 OUTLIER -61.78 -73.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 3.33 110.632 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.528 ' OE1' ' OG1' ' A' ' 89' ' ' THR . 0.4 OUTLIER -33.67 -46.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 3.21 110.609 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' B' ' 91' ' ' LEU . . . -46.86 -64.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 1.3 110.62 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.837 ' O ' HG21 ' B' ' 95' ' ' ILE . 0.9 OUTLIER -62.12 -12.91 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 2.17 110.616 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.97 -46.93 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 3.26 110.608 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -72.37 -44.16 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 1.01 110.627 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.64 -43.87 72.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 1.44 110.595 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.895 ' O ' ' HD3' ' B' ' 101' ' ' PRO . 37.9 t30 -104.17 83.22 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 3.81 110.58 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.436 ' HD1' ' HA ' ' B' ' 100' ' ' HIS . 0.2 OUTLIER -93.5 87.73 0.32 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 3.22 110.568 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.895 ' HD3' ' O ' ' B' ' 99' ' ' ASN . 56.9 Cg_endo -74.12 72.45 4.05 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.823 2.349 . . . . 4.69 112.331 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 1.431 ' O ' ' CG ' ' B' ' 103' ' ' GLU . 0.0 OUTLIER -45.94 -138.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 7.59 110.601 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . 1.431 ' CG ' ' O ' ' B' ' 102' ' ' LYS . 1.4 pt-20 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.029 -0.986 . . . . 7.71 110.64 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.354 -0.61 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.2 p -86.12 -26.17 25.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.581 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.0 -54.22 7.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.464 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -60.69 -23.25 64.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.516 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.4 -65.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.505 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' O ' ' OE1' ' A' ' 18' ' ' GLU . 40.1 mm-40 -51.08 -26.77 6.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.389 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -63.49 -33.12 74.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 1.0 110.36 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.0 t -51.31 -27.3 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.401 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.581 ' HG1' ' N ' ' A' ' 18' ' ' GLU . 43.7 p -73.8 -63.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.363 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.581 ' N ' ' HG1' ' A' ' 17' ' ' THR . 2.2 mp0 -37.54 -25.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.616 -177.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' THR . 58.2 mt -57.9 -49.18 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.395 -0.522 . . . . 1.0 110.358 179.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -68.9 -56.69 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.991 0.424 . . . . 1.0 110.746 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -50.41 -36.48 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.521 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.88 17.0 20.58 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.616 -0.265 . . . . 1.0 111.622 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.7 -48.44 21.94 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.479 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.98 151.88 5.83 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -82.15 178.31 8.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 1.0 110.629 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -41.41 -67.97 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.974 -0.557 . . . . 1.0 111.534 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -49.6 -26.68 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.398 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.413 ' NH2' ' CD ' ' A' ' 59' ' ' GLN . 20.5 mmt180 -75.66 -21.24 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.809 -0.356 . . . . 1.0 110.771 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.2 mm -71.55 -36.19 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.376 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.6 ttt85 -64.96 -29.6 70.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.344 . . . . 1.0 110.394 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.4 mt -78.59 -41.73 25.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.493 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.4 ttt -52.25 -32.47 37.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.355 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.429 ' O ' ' OG ' ' A' ' 36' ' ' SER . 42.5 mt-10 -71.26 -38.56 71.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.29 178.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -62.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.282 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.0 mt -46.5 -32.5 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.727 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 33' ' ' GLU . 8.6 p -60.37 -33.37 72.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 1.0 110.352 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.8 t -77.71 -38.86 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.776 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -173.49 153.57 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.0 111.037 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.27 164.7 26.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.596 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.4 158.95 36.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.912 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.558 ' HG ' ' CG ' ' A' ' 44' ' ' HIS . 93.3 p -88.41 166.71 14.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.529 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.419 ' O ' ' OG ' ' A' ' 46' ' ' SER . 35.7 t -56.3 -55.05 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.977 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.73 -35.03 91.49 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.381 -0.688 . . . . 1.0 111.381 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.558 ' CG ' ' HG ' ' A' ' 41' ' ' SER . 12.2 m170 -73.12 -39.25 65.91 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.69 0.256 . . . . 1.0 111.69 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.85 -13.74 12.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.757 0.313 . . . . 1.0 110.757 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 42' ' ' VAL . 50.3 m -54.48 -37.73 65.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.9 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.31 -12.59 61.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.888 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -60.62 -57.47 12.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.334 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tt -173.53 56.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 52' ' ' SER . 7.6 m120 -156.25 -13.85 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.433 -0.348 . . . . 1.0 110.938 -178.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 3.0 mm? 41.93 -89.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.849 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 50' ' ' ASN . 90.1 p -55.04 132.77 47.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.404 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -63.28 -47.29 82.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.113 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 p -45.11 -27.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.386 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.408 ' OD1' ' OG ' ' A' ' 52' ' ' SER . 5.0 m-20 -68.28 -43.45 77.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.425 -177.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.4 t -74.59 -38.94 46.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.981 -0.288 . . . . 1.0 111.16 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.9 t -59.15 -60.82 3.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.759 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -53.82 -41.31 67.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.901 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.413 ' CD ' ' NH2' ' A' ' 28' ' ' ARG . 38.1 tp60 -67.13 -54.55 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.289 -178.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.5 tp -52.11 -27.09 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.878 -177.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -68.41 -39.67 81.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.613 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.27 -35.65 79.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.63 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.2 mt -74.1 -32.74 63.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -64.98 -21.44 66.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.849 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.456 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 30.8 p -60.42 -60.93 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.767 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.45 ' N ' ' OG ' ' A' ' 65' ' ' SER . 3.3 p -69.27 -1.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.647 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 65' ' ' SER . 6.6 m170 66.55 23.26 10.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.782 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 tp -73.38 -13.51 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.856 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.7 t -135.33 155.42 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.927 -0.578 . . . . 1.0 110.179 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' A' ' 70' ' ' LYS . 9.2 mtmp? -124.88 172.82 9.06 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.184 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.69 153.16 26.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.506 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.7 pttt -149.12 161.53 41.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.317 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -93.44 135.71 34.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.3 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -153.08 112.98 3.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.489 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.65 58.6 8.95 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.21 -0.756 . . . . 1.0 111.21 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 54.45 12.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.554 0.216 . . . . 1.0 111.285 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.5 t -123.4 133.58 54.07 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.865 0.364 . . . . 1.0 110.418 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.562 ' N ' ' SD ' ' A' ' 78' ' ' MET . 1.9 mpt? -93.25 99.15 11.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.82 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.7 mt -101.57 148.68 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.45 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.487 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 8.6 p90 -146.35 -177.42 5.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.008 0.433 . . . . 1.0 110.899 -178.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.7 p -172.25 -159.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.369 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 83' ' ' ASP . 17.7 mt -86.63 168.13 13.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.81 0.338 . . . . 1.0 110.303 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 26.0 t0 -60.98 -123.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.232 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.488 ' H ' ' CG ' ' A' ' 83' ' ' ASP . 2.8 m-20 -86.82 -145.96 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.795 0.331 . . . . 1.0 110.632 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 pt -94.68 6.54 7.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.436 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.437 ' C ' ' N ' ' A' ' 88' ' ' ALA . 20.9 m170 -71.86 -83.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.971 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.4 m -45.98 -18.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.615 -0.266 . . . . 1.0 110.849 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.437 ' N ' ' C ' ' A' ' 86' ' ' HIS . . . -69.32 -62.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.932 0.396 . . . . 1.0 110.715 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.8 m -58.11 -48.77 79.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.515 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.582 ' N ' ' SD ' ' A' ' 90' ' ' MET . 0.0 OUTLIER -53.07 -26.93 17.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.333 179.514 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.4 tt -59.24 -59.18 5.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.108 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.514 ' HZ2' ' CB ' ' A' ' 92' ' ' LYS . 9.4 mtmp? -63.69 -55.51 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.928 -179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -49.59 -29.73 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.324 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.85 -63.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 1.0 110.73 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.4 tt -59.29 -12.53 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.576 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -80.0 -50.3 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.453 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -62.56 -13.1 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.465 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.43 ' O ' ' OD1' ' A' ' 99' ' ' ASN . . . -75.13 -22.63 58.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.674 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 98' ' ' ALA . 35.8 m-20 -145.11 63.65 1.28 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.098 -0.501 . . . . 1.0 109.922 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.585 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 4.3 t60 -71.44 -36.1 4.41 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.579 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 100' ' ' HIS . 53.6 Cg_exo -53.59 142.01 61.55 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 121.827 1.685 . . . . 1.0 112.076 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 101' ' ' PRO . 18.8 ttpp 57.8 127.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.145 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.05 -0.976 . . . . 1.0 110.545 179.638 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.346 -0.612 . . . . 1.0 109.346 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.1 m -89.65 -65.52 1.01 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.484 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -37.8 -34.59 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.677 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 16.8 p -53.81 -67.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.62 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.479 ' CD1' ' N ' ' B' ' 13' ' ' LEU . 8.8 mp -67.07 -53.6 29.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.427 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -41.31 -26.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.425 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' B' ' 13' ' ' LEU . 47.9 ttt85 -80.73 -39.96 26.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 1.0 110.454 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' B' ' 13' ' ' LEU . 43.9 t -59.07 -37.51 68.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.572 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.8 p -76.17 -25.14 54.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.434 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -68.81 -17.52 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.314 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 82.5 mt -68.45 -58.03 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.94 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -59.48 -66.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.158 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -45.19 -34.25 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.523 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.428 ' O ' ' NH2' ' B' ' 28' ' ' ARG . . . -63.27 -22.23 66.74 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.088 -0.245 . . . . 1.0 111.188 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 37.3 mt -72.98 2.95 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.285 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.82 -155.99 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 51.39 93.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 1.0 110.489 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -50.24 -63.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.992 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.61 -33.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.552 -177.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.428 ' NH2' ' O ' ' B' ' 22' ' ' ALA . 40.4 ttp180 -71.21 -40.99 70.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.337 . . . . 1.0 110.937 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.58 -27.55 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.558 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 mmm-85 -64.36 -27.85 69.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.53 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.497 ' CD1' ' N ' ' B' ' 31' ' ' ILE . 1.7 mp -73.99 -27.27 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 177.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 12.8 tpt -69.68 -48.6 59.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.633 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.415 ' O ' ' OG ' ' B' ' 36' ' ' SER . 9.1 tm-20 -54.15 -31.58 52.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.519 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.487 ' C ' ' H ' ' B' ' 36' ' ' SER . 0.9 OUTLIER -67.23 -61.75 1.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.347 -179.586 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 39.1 mt -56.89 -5.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.004 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.487 ' H ' ' C ' ' B' ' 34' ' ' LEU . 9.9 p -81.55 -50.85 8.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.748 0.309 . . . . 1.0 110.632 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 6.5 p -76.3 -29.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.669 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.3 p -178.7 145.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.42 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -57.0 169.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.512 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.37 151.84 25.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.73 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.473 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 26.1 p -90.23 164.16 14.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.42 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -53.45 -57.66 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.001 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.23 -45.58 93.93 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.302 -0.719 . . . . 1.0 111.302 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.473 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 2.6 m-70 -50.98 -40.2 57.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.713 0.292 . . . . 1.0 111.071 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.516 ' C ' ' H ' ' B' ' 47' ' ' HIS . 85.8 mt -69.62 -35.59 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.583 -177.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.424 ' O ' ' O ' ' B' ' 50' ' ' ASN . 44.1 t -53.59 -6.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.98 -0.288 . . . . 1.0 111.601 -176.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.516 ' H ' ' C ' ' B' ' 45' ' ' ILE . 46.2 t60 -91.87 -10.78 38.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 1.0 110.936 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -85.03 -58.36 2.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.555 -177.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 97.0 mt -145.76 -39.34 0.24 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.684 0.278 . . . . 1.0 110.483 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' B' ' 46' ' ' SER . 65.0 m-80 -74.82 130.28 39.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.004 -177.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' B' ' 51' ' ' LEU . 7.1 mp -85.3 -58.97 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.515 -0.55 . . . . 1.0 109.515 178.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.425 ' OG ' ' ND2' ' B' ' 55' ' ' ASN . 29.8 p -80.37 149.79 30.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.163 178.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.428 ' N ' ' OE1' ' B' ' 53' ' ' GLN . 2.4 mm100 -77.47 -17.0 58.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.844 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 95.9 p -80.08 -19.3 47.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.869 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.425 ' ND2' ' OG ' ' B' ' 52' ' ' SER . 3.0 m120 -69.38 -47.89 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.977 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.9 p -78.01 -34.43 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.73 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.9 t -57.49 -67.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.371 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -45.58 -43.23 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.634 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -63.56 -38.77 92.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.695 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.46 -31.8 73.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.435 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -65.13 -34.47 78.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.557 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 31.4 mt -58.61 -41.9 86.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.572 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.65 -30.77 67.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.23 -39.03 85.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.594 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -65.35 -34.3 78.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.608 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 26.7 t -77.48 -4.84 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.333 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 59.1 t60 60.84 8.1 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.421 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.63 -13.09 39.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.104 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 33.8 m -151.09 176.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.41 . . . . 1.0 110.876 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -136.16 175.09 9.92 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.855 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -141.31 148.31 39.55 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.754 0.311 . . . . 1.0 110.569 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -143.03 149.19 37.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.448 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -90.47 149.98 22.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.042 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -153.0 97.25 2.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 1.0 110.493 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.18 -110.36 3.11 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -111.44 -31.16 7.12 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.852 0.358 . . . . 1.0 110.28 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -83.22 141.53 31.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.762 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 47.1 mtm -90.66 88.86 7.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.223 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -78.44 134.28 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.6 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -115.12 154.33 29.13 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.549 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 59.5 p -156.31 -178.68 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.201 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.25 -175.96 4.2 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -69.81 -94.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.793 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 86' ' ' HIS . 50.7 m-20 -155.32 165.45 36.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.664 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 4.1 tp -43.71 88.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.395 0.616 . . . . 1.0 110.953 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' B' ' 84' ' ' ASP . 5.6 t-160 -174.87 -39.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.612 -0.722 . . . . 1.0 109.628 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 32.6 m -85.3 -41.04 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.466 -0.788 . . . . 1.0 110.471 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.92 -19.15 65.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.346 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 17.7 m -73.27 -48.31 35.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.372 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 8.6 tpt -63.63 -26.55 68.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.238 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 20.0 tp -62.47 -54.7 36.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.615 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -70.06 -55.6 9.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.103 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -44.11 -25.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 1.0 110.964 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.402 ' C ' ' H ' ' B' ' 96' ' ' HIS . . . -74.08 -70.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.906 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.8 tt -54.34 -12.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 1.0 110.42 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.402 ' H ' ' C ' ' B' ' 94' ' ' ALA . 41.6 t-80 -70.82 -46.21 63.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.506 178.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -65.68 -13.39 59.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.385 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.54 -6.37 48.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.394 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.521 ' O ' ' CG ' ' B' ' 100' ' ' HIS . 77.1 m-20 -160.55 -168.37 2.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.642 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' B' ' 99' ' ' ASN . 96.7 m-70 -158.42 70.24 3.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.274 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' B' ' 100' ' ' HIS . 80.0 Cg_exo -46.72 -178.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.896 2.397 . . . . 1.0 112.424 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -70.63 -135.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.489 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.998 -1.001 . . . . 1.0 110.497 -179.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.0 m120 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -46.06 -22.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.657 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -75.91 -56.79 4.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.105 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.0 m -54.67 -31.82 58.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.294 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.48 -60.11 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.04 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -54.05 -23.33 13.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.741 -178.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -76.34 -36.3 58.31 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.653 -0.419 . . . . 1.0 110.378 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.5 t -55.77 -25.41 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.213 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.2 m -73.19 -58.79 3.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.306 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -39.07 -32.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.429 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.3 mt -57.55 -63.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.463 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' LEU . 98.0 m-85 -59.64 -57.29 13.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.701 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -44.96 -36.11 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.937 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.0 -25.21 58.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.41 . . . . 1.0 110.375 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -81.53 -30.56 33.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.868 -0.606 . . . . 1.0 109.824 179.265 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.65 87.36 0.53 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.067 -0.813 . . . . 1.0 111.067 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -161.14 121.92 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.725 0.298 . . . . 1.0 110.344 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -55.68 -33.61 64.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.923 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.712 HD22 HE22 ' A' ' 59' ' ' GLN . 53.2 t30 -74.58 -52.09 12.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.388 -177.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -69.51 -48.96 58.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.754 0.312 . . . . 1.0 111.316 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.6 tp -46.58 -39.4 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.378 -0.373 . . . . 1.0 110.998 -176.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -70.13 -34.34 72.94 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.204 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.0 mt -68.05 -44.85 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.65 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.4 mmt -52.63 -33.94 48.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.681 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -72.49 -29.5 63.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.979 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.8 tp -75.61 -57.74 3.7 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.856 -0.337 . . . . 1.0 110.526 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.5 mp -61.85 -24.17 66.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.293 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 t -63.87 -68.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.43 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -49.63 -39.13 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.416 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.5 m -165.73 134.62 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.662 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 20.0 mp0 -52.33 167.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.471 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.0 149.05 22.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.8 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.2 p -88.64 167.72 13.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.313 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.6 t -56.98 -56.83 12.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.901 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.28 -30.38 67.54 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.445 -0.662 . . . . 1.0 111.445 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -66.94 -22.24 65.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.724 0.297 . . . . 1.0 110.993 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.3 mt -77.65 -31.35 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.865 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 50' ' ' ASN . 13.5 t -48.17 -41.28 26.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 1.0 110.898 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.491 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 19.0 t-160 -61.14 -15.9 38.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.947 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -92.88 -57.62 2.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.094 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.5 mp -93.4 -33.23 13.93 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.554 -0.294 . . . . 1.0 110.52 -179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 46' ' ' SER . 69.9 m-80 54.86 87.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.838 0.351 . . . . 1.0 110.274 -178.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -160.22 -167.49 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.342 -178.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -69.42 124.56 24.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.729 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -54.13 -32.15 54.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.76 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.417 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 11.0 t -63.89 -17.65 63.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.756 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -74.59 -42.58 58.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.857 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 t -70.26 -41.95 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.913 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 t -55.61 -37.22 67.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.483 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.484 ' ND1' ' N ' ' A' ' 58' ' ' HIS . 1.8 m-70 -78.84 -34.31 45.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.652 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.712 HE22 HD22 ' A' ' 27' ' ' ASN . 15.0 tt0 -70.38 -60.82 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.782 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.3 tp -50.23 -31.74 14.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.665 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -67.08 -36.08 81.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.826 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.3 tp -67.78 -38.34 83.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.665 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.4 mt -64.94 -26.74 68.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.522 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -68.31 -36.84 79.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.677 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.4 m -47.27 -50.03 22.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.741 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -76.93 -1.14 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.521 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 62.25 20.61 11.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.412 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.07 -8.64 51.07 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.608 -0.437 . . . . 1.0 110.172 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.1 t -137.02 155.46 32.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.353 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -152.16 122.75 7.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.252 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.0 169.23 8.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.608 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -149.01 164.36 34.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.221 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -87.83 132.82 34.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.424 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -153.0 108.38 3.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.293 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.28 -146.57 29.2 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.76 -0.936 . . . . 1.0 110.76 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -96.55 13.34 28.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.741 0.305 . . . . 1.0 110.498 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -138.29 163.26 32.25 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.042 0.448 . . . . 1.0 110.858 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' A' ' 78' ' ' MET . 2.1 mpt? -98.96 133.29 43.44 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.104 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 tt -117.17 137.75 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.276 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -102.05 134.93 44.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.662 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.3 t -147.14 173.9 12.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.051 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.542 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 1.7 mm? -94.11 173.06 7.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.063 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -64.18 -126.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.055 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -82.87 -138.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.673 0.273 . . . . 1.0 110.504 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.7 pt -107.72 -2.97 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.257 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -61.0 -24.38 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.815 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.9 m -77.38 -38.89 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.626 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.27 -59.61 4.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.619 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.4 p -47.15 -55.34 8.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.467 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.6 ttp -53.71 -54.28 40.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.658 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.11 -43.96 74.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.528 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -64.8 -56.96 10.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.598 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -46.48 -24.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.225 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.96 -64.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.789 -0.365 . . . . 1.0 110.727 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.2 tt -60.23 -16.11 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.687 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -74.81 -34.44 62.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.483 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.708 ' HD1' ' NE2' ' A' ' 100' ' ' HIS . 32.8 t60 -83.45 -15.94 47.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.537 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.507 ' O ' ' ND2' ' A' ' 99' ' ' ASN . . . -59.64 -33.8 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.048 -178.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 98' ' ' ALA . 30.9 m120 -156.76 108.11 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 1.0 110.703 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.708 ' NE2' ' HD1' ' A' ' 97' ' ' HIS . 97.7 m-70 -78.16 150.0 76.93 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.003 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -75.83 94.85 1.0 Allowed 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 121.865 1.71 . . . . 1.0 111.922 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -171.83 132.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.477 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.053 -0.975 . . . . 1.0 110.615 -179.927 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.434 ' C ' ' H ' ' B' ' 11' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.396 -0.594 . . . . 1.0 109.396 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.6 p -51.97 -12.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.689 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' B' ' 9' ' ' ASN . 11.9 t0 -71.49 -59.16 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.909 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 41.6 p -64.93 -56.97 10.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.987 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.431 ' N ' ' CD1' ' B' ' 13' ' ' LEU . 9.1 mp -44.72 -30.06 0.88 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.76 -178.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -68.08 -54.26 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.49 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' B' ' 18' ' ' GLU . 56.3 ttt85 -67.13 -45.82 75.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.045 -178.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 93.5 t -46.69 -15.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.975 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.45 ' H ' ' C ' ' B' ' 15' ' ' ARG . 52.9 m -91.19 -29.15 17.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.82 0.343 . . . . 1.0 110.735 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' B' ' 15' ' ' ARG . 21.5 tt0 -77.93 -27.67 49.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.512 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 pt -62.62 -28.21 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.629 -0.429 . . . . 1.0 110.75 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -79.51 -52.48 7.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.602 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -44.75 -23.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.751 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.69 -32.22 65.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.06 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.523 ' CD1' ' N ' ' B' ' 23' ' ' LEU . 7.2 mp -84.85 -0.77 55.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 1.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.36 178.38 10.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.093 -0.803 . . . . 1.0 111.093 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 61.68 135.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 1.0 110.877 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -70.21 -12.27 61.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.254 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -69.67 -53.97 16.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 1.0 110.925 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' B' ' 28' ' ' ARG . 7.1 mpt_? -70.14 -28.82 65.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.25 -177.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 98.5 mt -69.78 -34.44 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.281 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -75.8 -36.37 59.75 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.995 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.0 mt -67.08 -25.4 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.368 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 2.4 tpt -76.12 -32.57 59.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.647 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -60.41 -58.11 9.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.323 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.35 -41.05 83.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.143 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.57 -39.88 81.53 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.391 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 52.0 m -59.45 -30.15 68.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.421 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' B' ' 38' ' ' SER . 90.4 t -80.44 -44.8 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.609 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 5.9 m -167.3 131.07 1.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.636 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -47.74 166.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.336 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.12 148.04 21.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 1.0 110.693 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 60.2 m -79.7 168.71 18.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.406 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.403 ' CG1' ' H ' ' B' ' 43' ' ' GLY . 7.7 p -56.49 -53.21 43.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.884 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.403 ' H ' ' CG1' ' B' ' 42' ' ' VAL . . . -66.02 -17.28 65.36 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.749 -0.54 . . . . 1.0 111.749 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -76.34 -24.37 54.24 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.66 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 15.1 mm -70.05 -27.8 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 1.0 110.469 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.48 ' O ' ' N ' ' B' ' 50' ' ' ASN . 8.8 t -56.82 -46.19 81.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.93 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.528 ' N ' ' HD1' ' B' ' 47' ' ' HIS . 1.8 m80 -73.71 -23.66 59.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.429 -0.35 . . . . 1.0 111.127 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -69.13 -8.54 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.185 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.92 17.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.829 -179.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' B' ' 50' ' ' ASN . 2.1 p-10 40.71 82.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.39 . . . . 1.0 111.883 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 77.9 mt -148.87 -177.88 6.04 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.444 ' C ' ' H ' ' B' ' 54' ' ' SER . 12.6 t -78.72 121.24 24.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.72 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -48.89 -15.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.738 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.444 ' H ' ' C ' ' B' ' 52' ' ' SER . 98.8 p -81.83 -30.5 32.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.684 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -68.06 -42.71 80.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.965 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.3 m -73.72 -37.15 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.822 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 28.2 t -57.36 -37.22 72.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.399 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -74.49 -54.29 7.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.342 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -52.09 -40.73 61.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.7 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.2 tp -59.5 -33.47 71.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.676 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -61.76 -35.03 76.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.763 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.431 ' CD1' ' N ' ' B' ' 62' ' ' LEU . 10.1 mp -76.11 -38.67 56.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.215 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 11.4 tp -67.13 -38.31 85.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.421 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.464 ' NZ ' ' CB ' ' B' ' 64' ' ' LYS . 2.5 ttmp? -66.91 -35.11 79.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.815 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' B' ' 67' ' ' HIS . 12.6 t -46.94 -61.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.706 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 20.5 t -60.45 -4.14 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.314 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' B' ' 65' ' ' SER . 7.2 m80 69.12 19.52 7.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.164 178.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 mt -63.58 -10.87 20.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.081 0.467 . . . . 1.0 109.843 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 30.9 m -149.09 174.67 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.714 -0.676 . . . . 1.0 109.743 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -129.04 166.86 18.42 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.14 0.495 . . . . 1.0 110.675 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -138.86 131.35 28.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.485 -0.78 . . . . 1.0 109.337 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -136.79 153.75 50.73 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.894 0.378 . . . . 1.0 110.418 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.524 ' N ' ' CD ' ' B' ' 73' ' ' ARG . 10.1 mpt_? -90.77 146.19 24.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 1.0 109.982 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -147.07 81.57 1.55 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.84 0.352 . . . . 1.0 110.255 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.83 -83.87 1.51 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -138.29 -29.5 0.82 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.621 0.248 . . . . 1.0 110.573 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 71.2 m -84.37 135.27 34.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.319 . . . . 1.0 110.698 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.439 ' O ' ' CE2' ' B' ' 80' ' ' TYR . 68.7 mtm -87.28 87.97 7.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.408 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -83.6 144.32 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.894 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.439 ' CE2' ' O ' ' B' ' 78' ' ' MET . 10.0 m-85 -120.48 151.91 38.71 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.192 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 37.2 p -148.57 178.02 8.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.879 0.371 . . . . 1.0 110.587 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.15 161.91 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.719 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.49 -67.92 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.669 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -150.98 -171.92 4.06 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.47 ' H ' ' CD1' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -85.36 94.4 3.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.967 -0.383 . . . . 1.0 109.967 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -173.32 -14.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.66 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.5 m -81.27 -34.49 13.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.022 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.35 -30.46 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.96 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' B' ' 93' ' ' GLN . 52.5 m -82.72 -30.18 29.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.087 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 6.2 tpt -68.37 -43.86 76.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.173 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 27.1 mt -72.54 -54.28 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.41 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.498 ' N ' ' CD ' ' B' ' 92' ' ' LYS . 10.4 mptt -64.71 -13.51 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.667 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' B' ' 89' ' ' THR . 44.6 mm-40 -93.2 -25.37 17.85 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.727 0.298 . . . . 1.0 110.607 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.76 -55.02 14.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.392 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.48 -26.72 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.578 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.426 ' O ' ' ND1' ' B' ' 96' ' ' HIS . 0.7 OUTLIER -61.28 -37.88 84.74 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.686 179.667 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' B' ' 99' ' ' ASN . 11.3 t60 -64.42 -63.8 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.591 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -42.81 -23.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.215 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.523 ' O ' ' ND1' ' B' ' 100' ' ' HIS . 73.9 m-20 -81.98 132.03 35.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 1.0 110.916 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.523 ' ND1' ' O ' ' B' ' 99' ' ' ASN . 60.1 m-70 -158.51 60.74 1.83 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.306 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -77.63 -98.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.871 2.381 . . . . 1.0 112.277 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -140.81 47.1 1.75 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.986 -1.006 . . . . 1.0 110.629 179.921 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.4 m -49.21 -33.7 13.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.717 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -64.32 -56.25 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.688 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.9 p -62.6 -53.73 50.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.524 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 tp -45.39 -28.45 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.595 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -66.13 -57.18 8.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.272 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' CB ' ' NH1' ' A' ' 15' ' ' ARG . 29.0 mtm105 -59.34 -38.68 80.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.988 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.3 t -46.92 -43.9 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.806 0.336 . . . . 1.0 110.651 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.6 m -64.4 -35.56 81.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.732 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -60.55 -21.54 62.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.494 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.5 mt -73.7 -30.48 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.056 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -82.95 -68.15 0.73 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.699 0.285 . . . . 1.0 111.16 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -45.58 -36.26 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.217 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.98 -23.09 43.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.413 -0.358 . . . . 1.0 111.115 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 mt -89.59 8.01 33.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.492 -0.322 . . . . 1.0 111.246 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.77 -57.2 21.03 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.169 -0.773 . . . . 1.0 111.169 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -46.67 103.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 1.0 110.741 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -51.12 -18.53 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.442 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -82.45 -35.02 27.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.94 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -74.44 -34.89 63.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.225 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.4 tp -72.61 -32.17 40.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.819 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -71.89 -32.49 67.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.741 0.305 . . . . 1.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.5 mt -69.62 -24.77 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.091 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.429 ' O ' ' OG ' ' A' ' 36' ' ' SER . 25.7 ttm -74.73 -38.21 62.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.171 178.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -54.6 -31.06 56.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.524 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -68.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.644 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' A' ' 35' ' ' LEU . 9.8 mp -54.76 -12.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.848 -0.341 . . . . 1.0 110.242 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 32' ' ' MET . 36.7 m -75.86 -49.72 17.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.593 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 p -79.29 -24.79 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.574 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 p -170.74 121.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 1.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -46.34 168.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.494 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.48 151.13 24.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.855 0.359 . . . . 1.0 110.887 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.0 m -84.86 -175.23 5.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.681 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.52 -60.81 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.847 -0.615 . . . . 1.0 111.254 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.6 -19.26 76.3 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 120.851 -0.69 . . . . 1.0 111.973 -175.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -74.88 -33.2 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 122.554 -0.38 . . . . 1.0 111.936 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.7 pt -77.01 -16.78 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.527 -0.469 . . . . 1.0 110.968 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.1 m -55.54 -16.59 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.694 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -81.12 -17.67 49.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.381 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -81.79 -58.18 3.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.981 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 50' ' ' ASN . 7.1 tp -172.72 -19.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.874 -0.33 . . . . 1.0 111.101 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 49' ' ' LEU . 25.5 m-80 -60.84 -127.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.739 -0.385 . . . . 1.0 110.739 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 tt -165.4 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.611 -0.435 . . . . 1.0 110.821 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 t -154.61 -148.08 0.23 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.822 0.344 . . . . 1.0 110.908 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -78.36 -53.52 7.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.352 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.9 t -45.35 -50.6 12.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.275 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -72.82 -49.53 29.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.576 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.0 t -63.52 -33.1 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.005 -177.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.2 p -59.72 -44.71 93.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.087 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.458 ' N ' ' HD1' ' A' ' 58' ' ' HIS . 0.3 OUTLIER -68.71 -25.21 64.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.119 -178.35 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -80.01 -69.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 1.0 111.251 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.7 mt -45.79 -24.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.931 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -72.61 -43.76 62.89 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.776 -0.369 . . . . 1.0 110.312 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 tp -64.22 -50.39 68.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.911 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.98 -24.92 66.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 1.0 111.14 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -62.83 -40.35 97.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.762 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.7 m -71.1 -22.47 62.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.891 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.46 ' O ' ' CB ' ' A' ' 67' ' ' HIS . 24.1 t -75.01 -0.96 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.575 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.46 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 12.7 t-80 86.44 2.0 0.54 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.747 179.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.7 mt -111.23 157.47 20.07 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.262 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 t 66.84 133.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.82 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -144.23 149.16 35.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.046 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.71 122.97 45.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.861 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -96.04 129.65 43.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.19 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -85.45 105.2 15.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.753 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -128.23 83.43 2.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.35 -0.386 . . . . 1.0 109.999 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.3 -167.9 35.23 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.503 -1.039 . . . . 1.0 110.503 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -56.57 -15.48 4.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 1.0 110.353 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.4 t -92.24 116.36 28.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.949 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -100.31 143.66 30.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.092 -0.504 . . . . 1.0 109.786 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.6 pt -139.87 162.1 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.796 0.331 . . . . 1.0 110.621 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -125.22 151.45 45.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.085 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.8 p -174.45 110.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.446 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.419 ' CG ' ' H ' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -67.83 -107.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 178.722 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.419 ' H ' ' CG ' ' A' ' 82' ' ' LEU . 25.5 t0 45.0 89.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.139 179.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -102.21 18.94 19.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.24 -0.436 . . . . 1.0 109.83 177.303 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.521 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 9.0 mm 63.94 45.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.768 -0.651 . . . . 1.0 109.589 -176.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 24.4 m80 -163.46 -24.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.825 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.2 -36.74 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.067 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.79 -42.5 81.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.456 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.419 ' O ' ' OE1' ' A' ' 93' ' ' GLN . 17.9 p -59.47 -58.97 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.289 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.5 ttt -46.17 -43.78 15.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.402 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -63.57 -35.74 81.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.302 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 94' ' ' ALA . 16.4 ttmm -69.73 -63.63 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.419 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.464 ' CD ' ' H ' ' A' ' 93' ' ' GLN . 1.2 mp0 -42.53 -18.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.989 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -76.16 -53.03 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 1.0 110.415 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.407 HG22 HD13 ' A' ' 95' ' ' ILE . 18.2 mm -53.34 -21.82 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.566 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -75.61 -50.71 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.543 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -62.31 -33.72 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.11 -59.13 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.063 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -91.12 97.03 10.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.419 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -159.82 57.28 0.97 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.738 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -75.77 -44.04 0.31 Allowed 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.638 2.225 . . . . 1.0 111.904 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -163.96 -179.92 6.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.609 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 1.4 pm0 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.571 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.7 t -85.6 -23.46 27.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.582 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -82.11 -48.22 11.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.403 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.6 p -59.09 -29.66 67.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.473 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.2 -67.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.267 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -43.39 -25.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.595 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -73.06 -36.94 66.97 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.854 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . 0.53 ' O ' ' CE2' ' B' ' 20' ' ' PHE . 27.2 t -64.12 -24.19 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.319 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 29.1 m -91.69 -38.26 12.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.708 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 57.3 tt0 -63.14 -13.35 35.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.797 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 7.8 pt -81.4 -33.82 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.888 -0.325 . . . . 1.0 110.946 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' B' ' 16' ' ' VAL . 6.2 m-85 -76.16 -67.09 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.598 -0.441 . . . . 1.0 111.024 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -51.42 -39.83 58.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.288 -177.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.98 -19.61 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.551 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.9 mt -106.8 50.4 0.77 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.78 -71.59 1.18 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.523 ' OD2' ' NH1' ' B' ' 28' ' ' ARG . 57.6 t0 -44.15 131.63 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 1.0 111.15 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -65.68 -10.94 40.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.0 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -67.02 -43.88 81.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.298 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.663 ' NH2' HE22 ' B' ' 59' ' ' GLN . 7.9 mpt_? -73.12 -26.71 61.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.574 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 31.3 mm -67.61 -39.41 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.763 -0.375 . . . . 1.0 110.863 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -71.94 -32.95 67.82 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.793 -0.363 . . . . 1.0 110.688 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.43 -56.93 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.471 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' MET . . . . . 0.429 ' O ' ' OG ' ' B' ' 36' ' ' SER . 65.4 mtp -49.14 -39.54 29.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.496 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.84 -31.83 73.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.796 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.47 -57.33 4.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.053 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.423 ' CD1' ' N ' ' B' ' 35' ' ' LEU . 10.2 mp -56.34 -16.8 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.527 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 32' ' ' MET . 8.3 m -69.97 -42.23 73.43 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.651 -0.419 . . . . 1.0 110.212 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 t -77.28 -40.36 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.566 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 45.9 t -164.84 135.65 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.515 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -53.87 169.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.14 148.83 22.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.873 0.368 . . . . 1.0 110.832 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 50.6 m -80.5 164.78 22.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.219 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' B' ' 43' ' ' GLY . 10.5 p -52.65 -52.37 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.633 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.434 ' N ' ' CG1' ' B' ' 42' ' ' VAL . . . -69.19 -36.63 80.1 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 121.105 -0.569 . . . . 1.0 111.687 -177.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.8 -28.46 66.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.714 0.292 . . . . 1.0 111.122 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.8 mt -74.73 -19.14 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.725 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 23.7 p -56.62 -49.1 75.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 1.0 110.906 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -60.19 -11.85 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.023 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -77.43 -55.39 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.928 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.4 mt -132.82 42.54 3.06 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.372 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 61.68 -130.29 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.549 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 22.8 mt 57.61 -178.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.784 0.326 . . . . 1.0 110.515 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.1 m -121.34 175.85 5.94 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.573 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -66.53 -34.12 77.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.729 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.504 ' HG ' ' N ' ' B' ' 55' ' ' ASN . 59.6 p -71.06 -44.54 65.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.594 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.504 ' N ' ' HG ' ' B' ' 54' ' ' SER . 19.7 m120 -58.92 -44.12 91.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.727 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 92.3 t -68.59 -30.56 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.753 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.418 ' OG ' ' O ' ' B' ' 54' ' ' SER . 22.7 p -59.02 -34.73 72.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.58 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -36.27 59.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.102 -178.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.663 HE22 ' NH2' ' B' ' 28' ' ' ARG . 23.2 mm100 -68.21 -66.21 0.6 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.996 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 43.1 mt -48.59 -25.38 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.942 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -70.66 -40.96 72.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 1.0 110.344 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 tt -57.22 -56.02 27.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.052 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' B' ' 63' ' ' LEU . 8.4 mp -58.09 -26.91 63.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.308 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -73.52 -10.65 59.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.433 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -81.51 -50.2 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.689 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.523 ' CG1' ' H ' ' B' ' 67' ' ' HIS . 5.6 p -64.72 -70.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.575 -0.45 . . . . 1.0 111.565 -175.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.523 ' H ' ' CG1' ' B' ' 66' ' ' VAL . 29.0 t-80 -176.85 0.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.108 -0.237 . . . . 1.0 111.475 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 10.4 mp -103.51 152.69 21.39 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.74 -0.467 . . . . 1.0 109.74 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.1 t 63.62 146.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.067 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -151.4 140.81 21.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.749 -0.66 . . . . 1.0 109.867 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.66 142.0 34.54 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.99 0.424 . . . . 1.0 110.791 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -146.42 113.54 6.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.731 178.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -60.66 151.43 29.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.372 -174.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -152.91 96.69 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.517 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 63.42 48.44 78.5 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 70.75 -22.29 0.18 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.552 0.215 . . . . 1.0 111.154 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.522 ' H ' ' C ' ' B' ' 75' ' ' GLY . 14.8 m -84.14 119.84 25.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.8 0.333 . . . . 1.0 110.591 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -83.37 124.49 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.598 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 85.9 mt -129.42 155.51 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.21 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.484 ' CD1' ' N ' ' B' ' 80' ' ' TYR . 5.2 m-85 -127.59 159.56 34.27 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.419 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 66.6 m -159.96 -167.94 2.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.796 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.31 150.19 47.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.745 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -81.38 -21.54 38.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.384 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.505 ' OD2' ' ND1' ' B' ' 86' ' ' HIS . 26.7 t70 -172.03 178.17 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.127 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.432 ' H ' ' CG ' ' B' ' 84' ' ' ASP . 34.5 mt -78.99 -27.33 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 1.0 110.817 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.505 ' ND1' ' OD2' ' B' ' 84' ' ' ASP . 41.5 m80 -52.46 -65.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.009 -178.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 7.6 p -45.42 -29.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.098 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.77 -59.09 5.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.359 . . . . 1.0 110.59 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.421 ' O ' ' OE1' ' B' ' 93' ' ' GLN . 71.8 p -62.55 -29.67 70.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.586 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 15.2 ttt -48.6 -54.67 13.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.795 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 25.8 mt -68.25 -23.95 64.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.933 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.402 ' C ' ' H ' ' B' ' 94' ' ' ALA . 19.1 tptm -67.69 -70.22 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.593 -178.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.466 ' CD ' ' N ' ' B' ' 93' ' ' GLN . 7.5 mp0 -53.43 -12.11 0.4 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.948 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' B' ' 92' ' ' LYS . . . -72.0 -46.45 57.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.402 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 77.2 mt -72.67 -14.36 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.809 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.58 -51.18 53.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.764 -0.374 . . . . 1.0 110.299 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -63.14 -22.97 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.383 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.62 87.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.666 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -77.93 -109.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.454 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 54.18 72.04 1.21 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 1.0 110.779 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.47 -61.95 0.52 Allowed 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.649 2.233 . . . . 1.0 112.112 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -166.23 88.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.457 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 117.969 -1.015 . . . . 1.0 110.555 -179.776 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.1 t30 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.6 m -87.22 -36.44 17.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.584 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -76.0 -24.5 55.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.526 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.8 p -76.26 -65.86 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.587 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.4 tp -46.2 -24.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.341 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -73.39 -55.31 6.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.478 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.43 ' C ' ' N ' ' A' ' 17' ' ' THR . 27.4 ttp180 -50.99 -35.19 32.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.882 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.6 t -46.15 -18.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.712 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.43 ' N ' ' C ' ' A' ' 15' ' ' ARG . 84.6 m -88.0 -37.08 16.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.703 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' ARG . 77.2 mt-10 -67.89 -34.52 76.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.531 -177.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.9 pt -60.66 -27.47 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.85 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -77.72 -46.72 20.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.487 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -50.94 -20.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 1.0 110.466 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.2 -38.07 84.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.174 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.437 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 9.5 mp -72.6 -11.47 60.66 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 177.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.11 -24.11 0.51 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.939 -0.865 . . . . 1.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -79.0 143.28 35.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 1.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' ARG . 51.6 t80 -87.59 -71.6 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.235 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -45.2 -13.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.511 -177.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -75.18 -42.87 54.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.749 0.309 . . . . 1.0 110.389 -179.014 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 tp -56.89 -41.26 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.876 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -67.08 -32.68 74.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.033 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.6 mt -74.54 -35.12 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.651 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.6 ttt -62.05 -39.53 92.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.711 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.428 ' C ' ' H ' ' A' ' 35' ' ' LEU . 62.3 mm-40 -59.02 -68.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.146 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -52.1 -11.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.193 -177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.428 ' H ' ' C ' ' A' ' 33' ' ' GLU . 1.4 tt -79.93 -59.5 2.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.055 0.455 . . . . 1.0 109.994 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.5 t -47.73 -39.21 17.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.586 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.29 -36.85 71.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.418 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 35' ' ' LEU . 82.7 p -169.86 157.63 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.558 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -59.53 166.25 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.085 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.33 126.49 5.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 1.0 110.82 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t -77.12 -159.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.404 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -68.32 -63.75 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.402 . . . . 1.0 110.595 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.16 -35.63 88.32 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.17 -0.772 . . . . 1.0 111.17 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -49.73 -28.17 5.76 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 122.771 -0.252 . . . . 1.0 111.268 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 92.9 mt -74.06 -55.2 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.839 -0.344 . . . . 1.0 110.863 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.415 ' O ' ' OD1' ' A' ' 50' ' ' ASN . 99.0 p -69.75 -3.82 17.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.37 . . . . 1.0 110.353 178.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -35.3 -48.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.642 -0.708 . . . . 1.0 112.599 -175.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -97.05 -45.33 6.61 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.847 0.356 . . . . 1.0 110.782 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.2 mt -57.42 -58.21 9.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.741 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 46' ' ' SER . 1.6 m120 56.06 92.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.647 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -143.71 -65.67 0.37 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.216 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.3 m -155.19 121.2 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.624 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -74.34 -34.94 63.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.654 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.5 m -59.17 -26.14 64.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.355 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -76.69 -40.23 49.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.462 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.3 -40.95 82.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.484 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -62.17 -34.11 75.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.361 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -73.72 -64.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.705 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -49.97 -50.2 47.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.745 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.1 tp -49.11 -37.47 21.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.664 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -69.94 -35.59 74.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.678 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.75 -38.64 85.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.473 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.49 -21.01 65.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.763 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -72.27 -21.5 61.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.278 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 67' ' ' HIS . 83.8 p -72.01 -59.55 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.668 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.1 t -59.18 -6.55 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.926 0.393 . . . . 1.0 110.125 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.473 ' H ' ' C ' ' A' ' 65' ' ' SER . 8.8 t-160 66.69 10.54 7.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.742 177.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.86 -9.28 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.423 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 70' ' ' LYS . 63.9 t -142.56 162.4 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.664 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.413 ' N ' ' CG1' ' A' ' 69' ' ' VAL . 31.4 ttmt -142.71 135.01 27.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.152 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.53 156.81 19.68 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.632 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -139.82 156.04 46.94 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.006 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -88.88 140.62 29.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.81 0.338 . . . . 1.0 110.704 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -153.24 99.78 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.104 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.19 -132.56 13.61 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.472 -1.051 . . . . 1.0 110.472 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -102.03 24.65 9.76 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.028 0.442 . . . . 1.0 109.933 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.0 p -150.68 168.75 23.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.521 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.6 ptp -115.57 143.9 44.66 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.539 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.2 mm -116.15 127.28 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.194 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -92.8 138.14 31.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.043 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.3 m -154.51 -176.38 5.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.919 0.39 . . . . 1.0 110.787 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.95 143.77 57.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.78 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -79.93 -17.17 53.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.381 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -172.21 168.0 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.52 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.1 pt -75.59 -10.19 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.795 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -68.92 -29.62 67.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.797 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.4 t -61.87 -46.71 95.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.122 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.78 -35.58 61.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.994 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.9 m -78.2 -62.82 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.944 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 90' ' ' MET . 2.1 tmt? -43.35 -39.04 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.974 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.6 tp -61.33 -68.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.602 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -58.1 -47.2 83.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.785 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -49.11 -22.03 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.413 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.64 -52.68 8.09 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.696 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.472 ' CD1' ' N ' ' A' ' 95' ' ' ILE . 1.9 mp -58.66 -13.04 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.88 -0.415 . . . . 1.0 109.88 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' A' ' 99' ' ' ASN . 1.4 m-70 -76.09 -54.61 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.758 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -57.66 -30.93 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.789 -0.364 . . . . 1.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.41 -49.32 72.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.788 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.431 ' O ' ' O ' ' A' ' 96' ' ' HIS . 13.4 p30 -158.47 177.68 10.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.553 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -146.83 77.01 11.36 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.374 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -45.7 -47.16 14.08 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.592 2.195 . . . . 1.0 112.474 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -167.17 6.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.773 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.954 -1.022 . . . . 1.0 110.626 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.1 t -60.2 -24.52 64.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.611 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -56.8 -52.86 63.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.647 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 65.3 p -60.01 -50.17 74.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.491 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 38.0 tp -43.41 -30.01 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.825 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -73.84 -57.23 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.853 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' B' ' 17' ' ' THR . 45.5 mtp180 -49.99 -47.8 52.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.745 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 85.7 t -44.33 -16.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.888 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.51 ' N ' ' O ' ' B' ' 15' ' ' ARG . 8.2 m -84.53 -45.53 12.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.379 -178.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -15.13 63.48 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.59 -177.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 46.2 mm -58.77 -52.44 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.383 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.403 ' O ' ' N ' ' B' ' 23' ' ' LEU . 58.0 m-85 -64.62 -53.3 49.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.637 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.479 ' C ' ' H ' ' B' ' 23' ' ' LEU . 85.7 tttt -49.88 -42.4 47.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.506 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.28 16.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.535 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' B' ' 21' ' ' LYS . 0.2 OUTLIER -130.31 -14.38 3.8 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 -178.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.56 93.96 0.22 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.137 -0.785 . . . . 1.0 111.137 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.517 ' CB ' HH11 ' B' ' 28' ' ' ARG . 26.4 t70 -170.3 164.57 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.159 -0.311 . . . . 1.0 110.159 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 34.5 m-85 -88.77 -52.23 5.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.106 0.479 . . . . 1.0 111.068 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -60.84 -25.61 66.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.709 -0.678 . . . . 1.0 111.56 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.517 HH11 ' CB ' ' B' ' 25' ' ' ASP . 75.5 mtt85 -75.47 -16.12 60.35 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.738 -0.385 . . . . 1.0 110.744 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 mm -77.11 -47.12 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.731 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -76.09 -37.56 58.04 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.819 -0.352 . . . . 1.0 111.206 -178.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 93.2 mt -64.67 -59.2 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.336 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 25.1 ttt -48.56 -35.48 13.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.712 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.96 -50.32 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.552 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.8 tt -46.94 -56.67 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.195 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 30.5 mt -43.51 -49.8 7.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.016 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.0 m -54.29 -40.98 68.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.878 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -70.13 -54.12 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 1.0 110.824 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 92.1 p -162.42 151.03 14.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.486 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -56.72 170.51 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.435 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.51 174.43 12.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.108 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 57.8 p -121.42 -173.15 2.56 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.811 -0.44 . . . . 1.0 109.811 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.466 ' CG1' ' H ' ' B' ' 43' ' ' GLY . 7.3 p -62.97 -56.72 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.747 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.466 ' H ' ' CG1' ' B' ' 42' ' ' VAL . . . -74.18 -37.99 47.75 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 121.205 -0.521 . . . . 1.0 112.177 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -51.11 -24.84 4.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.969 0.385 . . . . 1.0 110.942 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 10.1 tp -61.31 -16.23 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.125 0.488 . . . . 1.0 110.129 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.529 ' O ' ' N ' ' B' ' 50' ' ' ASN . 58.7 p -64.15 -59.44 4.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.68 -0.691 . . . . 1.0 111.014 -178.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -40.7 -22.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.092 0.472 . . . . 1.0 110.71 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' B' ' 46' ' ' SER . 7.5 tp-100 -92.18 -44.78 8.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.518 -0.765 . . . . 1.0 110.026 177.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' B' ' 46' ' ' SER . 21.5 mt -141.47 63.41 1.43 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.196 -0.457 . . . . 1.0 109.962 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' B' ' 46' ' ' SER . 54.6 t-20 -58.49 81.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.785 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' B' ' 49' ' ' LEU . 27.1 mt -133.85 -171.99 2.87 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.164 -0.471 . . . . 1.0 109.9 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 58.4 m -49.05 110.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.528 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -46.16 -38.77 8.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.794 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 27.7 m -48.59 -28.27 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.607 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.96 -24.74 65.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.077 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 94.5 t -73.44 -50.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 1.0 110.774 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 11.7 t -51.41 -40.1 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.614 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -64.56 -48.93 73.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.985 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -58.06 -69.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.869 0.366 . . . . 1.0 111.184 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 48.0 mt -40.92 -27.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.222 -178.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -68.99 -43.47 74.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.237 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 mt -73.71 -57.52 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.301 . . . . 1.0 111.162 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.444 ' CD1' ' H ' ' B' ' 63' ' ' LEU . 9.9 mp -45.79 -41.08 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.359 . . . . 1.0 110.424 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.63 -31.67 69.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.799 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.501 ' OG ' ' N ' ' B' ' 66' ' ' VAL . 19.4 p -48.7 -61.06 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.688 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.501 ' N ' ' OG ' ' B' ' 65' ' ' SER . 6.7 m -75.63 2.4 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.735 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 48.1 m80 57.17 33.93 24.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.808 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -76.25 -10.99 59.83 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.805 -0.813 . . . . 1.0 108.805 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 52.3 t -135.76 155.33 35.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.835 -0.62 . . . . 1.0 109.837 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -133.52 127.23 32.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.981 0.42 . . . . 1.0 110.198 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.58 138.27 39.71 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.047 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -130.5 149.62 52.08 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.168 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -93.64 136.05 34.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.145 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -143.16 87.56 1.97 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.457 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.1 -65.45 2.64 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -158.35 -23.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.6 0.238 . . . . 1.0 110.837 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 34.3 t -89.01 130.69 35.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.75 0.31 . . . . 1.0 110.765 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.488 ' O ' ' CE2' ' B' ' 80' ' ' TYR . 60.3 mmm -87.27 99.44 11.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.279 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 13.9 mm -81.17 149.53 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.991 0.424 . . . . 1.0 111.045 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.488 ' CE2' ' O ' ' B' ' 78' ' ' MET . 55.9 m-85 -130.07 141.73 50.68 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.905 -0.588 . . . . 1.0 109.835 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' B' ' 82' ' ' LEU . 41.7 t -158.29 -168.34 2.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.038 0.446 . . . . 1.0 110.966 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.432 ' N ' ' OG ' ' B' ' 81' ' ' SER . 18.1 mt -68.4 147.96 51.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.792 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 83' ' ' ASP . 5.0 t70 -83.83 -23.02 31.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.441 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -168.02 150.17 5.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.33 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 17.0 mm -59.98 -21.37 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.638 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -70.17 -15.35 62.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.693 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 59.4 t -75.78 -43.65 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.709 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.73 -54.24 47.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.754 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 10.0 m -55.13 -45.33 75.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.749 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' MET . . . . . 0.437 ' C ' ' SD ' ' B' ' 90' ' ' MET . 1.8 tmt? -53.56 -44.95 69.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.741 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.7 tp -59.7 -44.65 93.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.819 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.479 ' NZ ' ' CB ' ' B' ' 92' ' ' LYS . 8.1 mtpm? -67.33 -56.66 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.995 -178.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -51.72 -20.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.238 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.12 -68.11 0.72 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.834 0.349 . . . . 1.0 110.814 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 73.8 mt -50.84 -21.55 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.705 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 -75.97 -39.81 55.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.882 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -77.69 -13.96 59.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.528 -0.306 . . . . 1.0 110.874 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.94 -52.94 3.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.758 0.313 . . . . 1.0 111.204 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.438 ' O ' ' O ' ' B' ' 100' ' ' HIS . 9.1 t-20 -160.33 9.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.672 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.438 ' O ' ' O ' ' B' ' 99' ' ' ASN . 91.7 m-70 57.19 150.35 0.06 OUTLIER Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.573 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' B' ' 102' ' ' LYS . 96.4 Cg_endo -75.07 -48.19 0.18 Allowed 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.75 1.633 . . . . 1.0 111.831 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' B' ' 101' ' ' PRO . 63.3 tttm 49.68 101.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.736 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.003 -0.998 . . . . 1.0 110.663 179.513 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.392 -0.596 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 12' ' ' THR . 68.4 p -89.86 -64.94 1.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.257 178.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.402 ' N ' ' OG1' ' A' ' 10' ' ' THR . 34.8 t70 -33.64 -27.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.534 -0.757 . . . . 1.0 112.252 -176.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.626 ' HG1' ' H ' ' A' ' 13' ' ' LEU . 18.6 p -69.72 -71.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.562 -0.29 . . . . 1.0 111.058 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.626 ' H ' ' HG1' ' A' ' 12' ' ' THR . 9.7 mp -68.03 -9.26 44.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.076 -177.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -79.78 -35.96 37.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.742 0.306 . . . . 1.0 110.844 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -81.51 -39.15 25.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.552 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.2 t -57.01 -39.15 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.368 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 19' ' ' ILE . 36.7 m -63.19 -61.8 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.334 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -36.4 -29.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.829 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' THR . 83.6 mt -54.92 -53.41 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.445 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' LEU . 14.9 m-85 -75.83 -61.06 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.874 -179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -43.32 -45.75 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.157 -178.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.93 -24.24 66.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.88 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 20' ' ' PHE . 6.3 tp -83.13 29.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.362 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.49 82.31 1.68 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -161.98 146.12 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.699 0.285 . . . . 1.0 110.306 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -87.75 -67.45 0.82 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.061 0.457 . . . . 1.0 110.83 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -52.57 -15.45 0.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.109 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -76.77 -30.31 56.45 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.898 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.406 HD12 HG22 ' A' ' 29' ' ' ILE . 14.3 mm -72.57 -37.03 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.859 -179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.487 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 48.8 ttt85 -71.6 -31.0 66.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.749 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.1 mt -73.24 -50.45 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.342 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.4 tpt -52.21 -36.15 51.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.53 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -55.73 -62.53 1.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.4 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.6 tp -49.23 -54.46 16.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.299 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.15 -53.44 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.744 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 m -55.72 -45.57 77.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.161 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.48 -30.53 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.499 -0.319 . . . . 1.0 110.99 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t 172.11 138.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.581 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -55.79 154.04 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.647 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.513 ' O ' ' CE1' ' A' ' 80' ' ' TYR . . . -156.96 164.83 37.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.345 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.7 p -89.76 161.55 15.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.4 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 81.5 t -50.76 -51.57 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.717 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.56 -36.83 90.9 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.528 -0.629 . . . . 1.0 111.528 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -65.34 -31.79 73.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.66 0.267 . . . . 1.0 111.017 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.62 -28.11 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.841 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 50' ' ' ASN . 55.5 p -53.66 -24.49 14.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.083 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -79.02 -11.38 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.947 0.403 . . . . 1.0 110.534 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 30' ' ' ARG . 60.6 tt0 -75.68 -45.77 35.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.863 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.8 tp -171.46 -28.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.785 -0.366 . . . . 1.0 110.984 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.497 HD21 ' CG ' ' A' ' 55' ' ' ASN . 8.5 m120 -81.6 128.0 33.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.884 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.48 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 3.4 mm? -101.34 24.65 9.27 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 177.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.504 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 3.3 p -157.56 138.06 12.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.107 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -85.02 -21.38 29.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.33 -178.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.0 p -66.57 -36.04 81.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.557 -0.292 . . . . 1.0 111.261 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.526 ' OD1' ' N ' ' A' ' 56' ' ' VAL . 18.6 p30 -67.87 -36.47 80.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.733 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.526 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 10.5 t -68.42 -36.88 76.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.753 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.6 m -56.91 -40.85 77.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.865 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.525 ' ND1' ' N ' ' A' ' 58' ' ' HIS . 1.3 m-70 -75.67 -60.29 2.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.932 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -49.04 -53.62 19.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.011 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.5 tp -56.49 -33.49 66.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.785 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -60.71 -31.4 70.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 1.0 110.679 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.5 mt -70.08 -54.13 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.667 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.7 mp -52.79 -35.66 57.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.196 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -61.47 -29.91 70.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.39 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 t -74.28 -33.11 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.406 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.22 -0.88 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.108 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 66.04 9.06 5.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.256 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.3 mt -74.32 -12.97 60.68 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.749 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.436 ' CG2' ' N ' ' A' ' 70' ' ' LYS . 7.2 p -145.48 162.81 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-O 120.96 0.409 . . . . 1.0 110.59 -178.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.436 ' N ' ' CG2' ' A' ' 69' ' ' VAL . 0.9 OUTLIER -142.87 174.88 10.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.109 -179.664 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -153.88 158.87 41.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 1.0 110.506 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -148.87 161.38 41.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.037 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -93.34 136.9 33.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.371 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -153.02 80.57 1.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.54 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.537 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 79.03 49.47 6.36 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.085 -0.806 . . . . 1.0 111.085 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 69.32 -16.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.558 0.218 . . . . 1.0 111.28 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 75' ' ' GLY . 25.3 p -87.98 120.85 29.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.815 0.34 . . . . 1.0 110.606 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 29.5 mtt -83.25 87.95 6.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.501 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.8 mm -88.61 159.15 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.656 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.513 ' CE1' ' O ' ' A' ' 40' ' ' ALA . 5.3 p90 -150.08 175.89 11.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.219 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 31.3 t -157.44 -175.59 5.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.626 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.466 ' N ' ' OG ' ' A' ' 81' ' ' SER . 59.5 tp -73.31 151.69 41.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.454 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.419 ' OD2' ' OD1' ' A' ' 84' ' ' ASP . 15.8 t70 -46.79 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.734 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 86' ' ' HIS . 8.3 m-20 -157.82 -167.92 2.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.994 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 13.8 pt -70.02 5.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.629 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.46 ' H ' ' C ' ' A' ' 84' ' ' ASP . 33.6 m170 -83.12 -93.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.886 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.5 t -45.89 -23.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.912 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.85 -51.94 20.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.969 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.1 m -77.97 -41.09 37.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.056 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 35.3 ttp -44.73 -42.22 7.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.967 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.6 tt -72.1 -57.87 3.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.207 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -60.75 -10.53 5.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -89.3 -25.92 21.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.951 0.405 . . . . 1.0 110.605 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.88 -61.3 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.627 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.9 pt -62.02 -22.38 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.65 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -70.3 -41.67 73.02 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.337 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 97' ' ' HIS . 57.9 t60 -73.2 -6.19 44.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.55 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.54 97.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.004 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -152.24 131.99 13.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.519 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -171.82 60.91 0.31 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.739 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -75.83 149.99 34.13 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.553 2.169 . . . . 1.0 111.853 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm 59.04 73.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.401 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.049 -0.977 . . . . 1.0 110.554 -179.869 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m -50.2 -23.49 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.808 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.95 -28.34 69.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.331 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.457 ' C ' ' N ' ' B' ' 14' ' ' GLU . 95.6 m -79.37 -48.92 13.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.739 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' B' ' 13' ' ' LEU . 8.6 mp -48.22 -16.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 1.0 109.914 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.457 ' N ' ' C ' ' B' ' 12' ' ' THR . 42.2 mt-10 -84.38 -52.81 5.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.354 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' B' ' 18' ' ' GLU . 85.6 mtm-85 -60.82 -46.99 88.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.498 -177.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 m -42.7 -39.75 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.641 0.258 . . . . 1.0 111.273 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 18.5 p -62.36 -34.12 76.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 1.0 110.776 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 15' ' ' ARG . 13.2 tm-20 -68.76 -22.46 64.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.615 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.3 mt -74.24 -33.93 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.948 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -77.86 -59.56 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.851 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -46.86 -32.3 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.103 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.454 ' O ' ' CZ ' ' B' ' 28' ' ' ARG . . . -59.31 -22.1 60.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.091 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -94.0 30.32 1.9 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.71 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.42 -87.16 0.02 OUTLIER Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.536 -0.626 . . . . 1.0 111.536 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 26' ' ' TYR . 9.7 t0 -41.88 150.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.36 . . . . 1.0 111.265 -177.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.446 ' N ' ' OD1' ' B' ' 25' ' ' ASP . 41.3 p90 -86.94 -14.72 41.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.624 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.526 ' OD1' ' N ' ' B' ' 28' ' ' ARG . 22.0 p30 -79.49 -39.25 32.56 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.962 -0.295 . . . . 1.0 111.248 -177.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.526 ' N ' ' OD1' ' B' ' 27' ' ' ASN . 11.2 ptm180 -68.15 -37.5 81.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 1.0 111.0 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 17.3 tt -77.0 -22.16 14.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.674 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -67.91 -28.3 67.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.967 0.413 . . . . 1.0 110.133 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.26 -40.41 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.304 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 46.0 mtt -57.26 -30.07 64.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.187 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -71.07 -28.94 64.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.973 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -55.39 11.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.875 -0.602 . . . . 1.0 109.949 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -53.52 -23.1 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.942 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -71.17 -50.07 37.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 1.0 110.548 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.6 -34.87 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.477 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t 170.26 156.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.411 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.75 159.46 34.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.509 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.23 172.26 18.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.702 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 94.1 p -92.85 152.0 19.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.415 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' B' ' 43' ' ' GLY . 14.1 p -50.58 -47.19 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.958 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.422 ' N ' ' CG1' ' B' ' 42' ' ' VAL . . . -65.75 -30.88 78.22 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 120.967 -0.635 . . . . 1.0 111.549 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -75.73 -36.98 59.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.734 0.272 . . . . 1.0 111.734 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.455 ' C ' ' H ' ' B' ' 47' ' ' HIS . 2.4 pp -81.08 -12.7 12.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 121.028 -0.269 . . . . 1.0 110.834 -178.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.415 ' O ' ' O ' ' B' ' 50' ' ' ASN . 5.3 t -60.35 -5.84 1.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.92 0.391 . . . . 1.0 110.375 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.455 ' H ' ' C ' ' B' ' 45' ' ' ILE . 1.6 m-70 -82.3 -10.36 59.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.561 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -73.84 -55.57 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.333 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 pp -172.99 -17.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.551 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' B' ' 46' ' ' SER . 34.1 m120 -85.69 143.76 28.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.147 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.48 29.92 0.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.036 -0.357 . . . . 1.0 110.036 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.515 ' HG ' ' CG ' ' B' ' 55' ' ' ASN . 10.9 t -142.27 96.13 2.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.203 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -48.66 -17.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.86 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.406 ' N ' ' C ' ' B' ' 52' ' ' SER . 32.6 t -85.33 -40.73 16.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.303 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.515 ' CG ' ' HG ' ' B' ' 52' ' ' SER . 13.0 m120 -73.86 -42.77 60.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.15 -178.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' B' ' 57' ' ' SER . 10.9 p -72.39 -43.54 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.978 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.426 ' N ' ' CG1' ' B' ' 56' ' ' VAL . 42.6 t -59.41 -23.98 63.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.954 0.407 . . . . 1.0 110.529 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -78.64 -55.1 5.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.257 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -47.38 -50.81 21.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.855 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.2 mt -55.16 -32.11 61.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.891 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -69.5 -38.17 77.51 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.776 -0.369 . . . . 1.0 110.735 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -69.64 -36.15 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.682 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 tp -76.54 -29.55 56.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 1.0 110.362 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' B' ' 67' ' ' HIS . 1.4 tmtp? -51.13 -50.0 59.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 1.0 109.97 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.516 ' C ' ' H ' ' B' ' 67' ' ' HIS . 18.4 p -50.77 -40.5 55.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.773 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.1 -1.1 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.115 0.484 . . . . 1.0 109.836 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.516 ' H ' ' C ' ' B' ' 65' ' ' SER . 14.4 t60 73.0 15.66 4.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.294 -0.866 . . . . 1.0 112.25 175.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' B' ' 68' ' ' LEU . 7.3 mp -83.36 -103.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.947 -0.39 . . . . 1.0 109.947 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 31.6 m -52.95 157.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.956 0.408 . . . . 1.0 110.952 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -152.73 126.96 9.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.892 -0.594 . . . . 1.0 110.148 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.67 133.21 48.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.696 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -121.22 161.4 21.98 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.177 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -88.79 123.21 32.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.212 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . 0.415 ' O ' ' OG ' ' B' ' 77' ' ' SER . 39.8 tt0 -152.8 104.25 2.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.538 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.509 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 56.46 52.03 52.65 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.094 -0.802 . . . . 1.0 111.094 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 54.98 5.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.612 0.244 . . . . 1.0 111.095 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.509 ' H ' ' C ' ' B' ' 75' ' ' GLY . 13.1 p -107.81 120.1 41.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.774 0.321 . . . . 1.0 110.262 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.421 ' O ' ' CE1' ' B' ' 80' ' ' TYR . 49.9 mtt -85.49 87.71 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.549 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 97.3 mt -80.64 155.9 4.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.389 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.421 ' CE1' ' O ' ' B' ' 78' ' ' MET . 9.0 m-85 -125.3 137.96 54.08 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.418 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 11.0 m -147.99 178.28 8.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.421 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -69.76 164.28 23.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.88 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -81.08 -45.76 16.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.582 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.517 ' CG ' ' H ' ' B' ' 85' ' ' ILE . 20.3 t70 -172.68 -169.29 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.199 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.527 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 12.0 mm -77.68 86.35 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 1.0 110.611 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' B' ' 85' ' ' ILE . 29.3 m80 -159.39 -86.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.827 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 24.6 m -46.09 -20.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.532 . . . . 1.0 111.328 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.07 -55.37 35.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 1.0 110.829 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 69.4 p -66.89 -30.78 71.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.053 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 26.3 ttt -51.85 -53.47 40.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.646 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.72 -43.85 76.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.466 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -65.85 -67.88 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 1.0 110.674 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -41.09 -26.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.311 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.8 -70.25 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.041 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.0 tt -60.82 -19.11 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.694 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -76.5 -23.83 53.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.337 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.499 ' O ' ' NE2' ' B' ' 100' ' ' HIS . 26.7 t60 -70.41 -56.69 6.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.671 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.42 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.924 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.508 ' O ' ' CG ' ' B' ' 100' ' ' HIS . 43.8 t-20 -79.44 146.1 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.958 -178.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' B' ' 99' ' ' ASN . 56.6 m-70 -162.38 151.53 12.95 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.887 178.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -77.17 -49.43 0.1 Allowed 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 121.919 1.746 . . . . 1.0 112.205 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -48.93 -74.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.79 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.996 -1.002 . . . . 1.0 110.738 -179.391 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 9' ' ' ASN . 1.1 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.0 p -45.94 -17.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.59 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' ASN . 6.1 t70 -78.38 -64.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.512 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.3 p -57.4 -28.44 63.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.483 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -60.34 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.117 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -50.18 -24.43 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.591 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -78.82 -20.7 49.07 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.819 -0.353 . . . . 1.0 110.908 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.7 -18.18 23.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.379 . . . . 1.0 110.111 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 23.6 p -89.14 -59.61 2.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.388 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' N ' ' OG1' ' A' ' 17' ' ' THR . 77.4 tt0 -39.66 -34.65 0.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.915 -177.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 pt -62.31 -35.61 70.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.428 -0.509 . . . . 1.0 110.524 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -79.46 -59.28 2.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.709 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm -48.95 -28.51 3.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.267 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.52 -26.77 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.645 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 25' ' ' ASP . 7.1 mp -92.63 -17.51 24.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.175 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.34 73.39 0.01 OUTLIER Glycine 0 CA--C 1.527 0.831 0 CA-C-N 115.884 -0.598 . . . . 1.0 111.712 -177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' LEU . 30.5 t0 -173.79 123.52 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.96 0.41 . . . . 1.0 110.251 178.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -53.27 -31.95 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.753 -0.658 . . . . 1.0 112.316 -176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.473 ' ND2' ' CG ' ' A' ' 25' ' ' ASP . 10.7 p30 -82.03 -38.84 24.39 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.853 -0.339 . . . . 1.0 111.712 -176.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.712 ' HE ' HE22 ' A' ' 59' ' ' GLN . 99.0 mtt180 -73.2 -33.24 65.27 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.735 -0.386 . . . . 1.0 111.128 -178.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.0 tp -74.08 -36.29 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 1.0 111.319 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -70.58 -34.26 72.0 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.939 -0.304 . . . . 1.0 111.598 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 23.9 pt -74.72 -23.83 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.613 -0.435 . . . . 1.0 110.226 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.1 tpt -68.55 -35.59 77.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.24 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -67.14 -27.63 67.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.452 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.94 -60.31 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.223 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.7 mt -50.81 -17.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.491 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.5 m -74.16 -65.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.708 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.6 m -54.4 -37.78 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.703 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.5 p -169.3 151.14 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 1.0 110.716 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.66 169.71 5.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.554 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.86 144.29 18.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.524 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 t -79.05 172.2 14.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.316 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.437 ' CG1' ' H ' ' A' ' 43' ' ' GLY . 7.4 p -59.47 -55.83 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.803 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.437 ' H ' ' CG1' ' A' ' 42' ' ' VAL . . . -74.54 -20.1 79.66 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.767 -0.73 . . . . 1.0 111.645 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -75.97 -37.72 58.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.807 0.303 . . . . 1.0 111.741 -176.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.9 tt -77.73 -13.54 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.599 -0.44 . . . . 1.0 110.454 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -59.36 -57.73 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.643 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -58.21 -19.56 34.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.681 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -72.71 3.24 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.05 0.452 . . . . 1.0 110.051 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -155.32 -3.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.488 -0.56 . . . . 1.0 109.488 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.6 t30 51.67 82.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.811 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tp -165.09 -167.78 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.132 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.3 t -85.19 152.11 23.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.504 -0.316 . . . . 1.0 110.576 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -76.83 -20.3 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.954 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.438 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 22.9 p -75.07 -28.47 60.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.779 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -69.94 -44.91 68.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.923 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.8 m -76.1 -40.28 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.808 -179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.4 m -55.51 -31.99 62.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.102 0.477 . . . . 1.0 110.299 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 54' ' ' SER . 5.4 m-70 -69.12 -35.42 76.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.35 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.712 HE22 ' HE ' ' A' ' 28' ' ' ARG . 22.4 mm100 -64.81 -51.4 62.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.957 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.5 mt -46.8 -31.91 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.624 -0.262 . . . . 1.0 111.044 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -69.24 -42.34 75.79 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.499 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.422 ' O ' ' OG ' ' A' ' 65' ' ' SER . 14.0 mt -61.56 -55.93 25.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.604 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 68' ' ' LEU . 10.4 mp -55.3 -32.48 62.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.542 -0.299 . . . . 1.0 110.273 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -66.03 -30.48 71.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.712 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 67' ' ' HIS . 59.6 p -67.44 -39.24 85.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.671 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.521 ' C ' ' H ' ' A' ' 68' ' ' LEU . 2.4 t -80.35 35.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.437 . . . . 1.0 110.314 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 58.0 t-80 47.72 11.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 66' ' ' VAL . 7.3 tp -101.79 144.01 31.0 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.935 -0.394 . . . . 1.0 109.935 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.8 t 59.22 156.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 1.0 110.86 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -164.08 157.52 18.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.26 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.74 150.22 28.64 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.923 0.392 . . . . 1.0 110.838 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -147.79 114.03 5.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.958 -0.565 . . . . 1.0 109.933 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 145.06 48.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.344 0.592 . . . . 1.0 111.603 -173.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -152.84 100.4 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.941 -1.027 . . . . 1.0 110.059 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.93 -116.51 4.35 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -111.67 -29.17 7.82 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.907 0.384 . . . . 1.0 110.254 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.0 m -88.43 149.3 23.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.819 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.518 ' O ' ' CE1' ' A' ' 80' ' ' TYR . 65.7 mtt -96.94 102.92 14.79 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.123 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.566 ' N ' ' CD1' ' A' ' 79' ' ' ILE . 1.6 mp -86.46 135.78 24.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.507 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' A' ' 78' ' ' MET . 19.6 m-85 -118.19 152.9 34.77 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.063 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 91.1 p -159.17 -173.31 4.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.673 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.526 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 3.0 mm? -69.87 156.24 39.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.368 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -65.52 -38.77 90.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.331 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 17.8 t70 -165.38 -176.9 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.712 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.495 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 13.8 pt -83.35 9.01 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.521 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 88' ' ' ALA . 50.5 m170 -83.37 -82.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.835 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 m -46.14 -19.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.802 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 86' ' ' HIS . . . -60.2 -53.47 57.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.521 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.5 p -58.8 -46.24 88.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.638 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.9 ttp -46.66 -40.06 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.631 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 tp -61.47 -49.49 76.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.469 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 94' ' ' ALA . 9.1 mtpm? -61.38 -60.69 3.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.82 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -43.36 -17.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.214 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -77.71 -49.42 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.977 -0.289 . . . . 1.0 110.723 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.507 ' CD1' ' N ' ' A' ' 95' ' ' ILE . 1.6 mp -64.09 -13.9 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.64 -0.504 . . . . 1.0 109.64 178.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -75.13 -64.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.014 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -55.77 -21.35 18.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 1.0 110.547 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.91 -26.19 29.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.421 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.522 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 25.1 t-20 -81.26 88.19 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.624 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 99' ' ' ASN . 26.4 m80 -161.46 67.79 2.3 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.493 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -47.52 -55.63 3.79 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.695 2.264 . . . . 1.0 112.434 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -66.06 -137.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.538 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.066 -0.968 . . . . 1.0 110.462 -179.647 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.503 ' C ' ' H ' ' B' ' 11' ' ' ASP . 2.7 m120 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.355 -0.609 . . . . 1.0 109.355 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.35 -9.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.923 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.503 ' H ' ' C ' ' B' ' 9' ' ' ASN . 22.1 m-20 -58.94 -36.24 74.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.578 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.444 ' CG2' ' N ' ' B' ' 13' ' ' LEU . 13.6 t -73.69 -44.64 56.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.605 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.444 ' N ' ' CG2' ' B' ' 12' ' ' THR . 38.3 tp -45.55 -26.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.454 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -88.72 -45.3 9.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.663 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -59.3 -45.88 90.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.943 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 34.0 m -50.73 -39.35 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.549 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 18.2 m -55.64 -37.05 67.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.546 179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -63.68 -27.05 68.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.828 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 64.2 mt -65.95 -38.1 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.495 -0.32 . . . . 1.0 110.768 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.429 ' C ' ' N ' ' B' ' 22' ' ' ALA . 75.0 m-85 -67.64 -62.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 1.0 110.644 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -49.6 -14.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.796 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.429 ' N ' ' C ' ' B' ' 20' ' ' PHE . . . -64.04 -37.42 87.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.066 -178.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -74.18 -76.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.578 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.73 -102.64 0.1 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.624 -0.59 . . . . 1.0 111.624 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.26 119.33 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 1.0 111.702 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.577 ' CE1' ' ND2' ' B' ' 27' ' ' ASN . 41.2 p90 -65.6 -16.24 63.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.182 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.577 ' ND2' ' CE1' ' B' ' 26' ' ' TYR . 69.4 m-80 -79.32 -31.23 43.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.952 0.406 . . . . 1.0 110.371 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -66.77 -43.1 84.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.914 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 15.7 pt -73.32 -25.45 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.22 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -65.76 -31.81 72.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.058 0.456 . . . . 1.0 110.196 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 87.5 mt -73.36 -28.36 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.203 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 26.2 ttt -70.83 -36.95 73.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -61.7 -63.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.079 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.27 -22.8 53.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.467 -0.333 . . . . 1.0 111.173 -177.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -81.27 -42.29 20.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.957 0.408 . . . . 1.0 110.086 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 28.5 t -53.62 -40.71 65.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.853 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 24.1 m -72.75 -28.75 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.7 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -161.01 111.89 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.818 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -46.39 167.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.613 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.91 147.83 23.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.921 0.391 . . . . 1.0 110.837 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.45 ' O ' ' CD1' ' B' ' 45' ' ' ILE . 9.5 m -79.25 -159.0 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.727 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 72.1 t -80.37 -65.63 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.75 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' B' ' 45' ' ' ILE . . . -62.15 -49.85 70.87 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.543 -0.623 . . . . 1.0 111.543 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -42.94 -20.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.791 -0.241 . . . . 1.0 111.405 -178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' B' ' 43' ' ' GLY . 90.7 mt -81.87 -33.57 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.552 -0.295 . . . . 1.0 111.208 -178.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 43' ' ' GLY . 12.8 p -46.72 -42.7 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 1.0 111.097 -178.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.477 ' N ' ' HD1' ' B' ' 47' ' ' HIS . 0.8 OUTLIER -69.33 -15.62 63.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.478 -178.742 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -73.58 -57.35 4.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.872 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 36.5 tp -173.88 -16.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.027 0.441 . . . . 1.0 110.537 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.582 ' N ' HD21 ' B' ' 50' ' ' ASN . 1.6 m120 -81.33 -11.19 59.39 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.398 0.518 . . . . 1.0 112.398 -176.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 mp 42.41 -89.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.911 0.386 . . . . 1.0 110.891 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.542 ' N ' ' O ' ' B' ' 50' ' ' ASN . 13.2 p -56.39 128.64 36.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.366 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -76.04 -24.73 55.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.224 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.4 m -72.15 -27.91 62.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.874 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -69.88 -44.5 69.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.144 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.14 -36.33 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 1.0 110.86 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.5 m -62.88 -38.34 90.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.711 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -69.06 -58.42 4.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.896 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -54.25 -40.17 67.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.962 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.7 -31.67 71.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.589 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -67.51 -32.6 73.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.871 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 8.8 tp -67.27 -38.56 85.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.718 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 13.6 mt -65.58 -25.69 67.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.779 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -74.68 -28.5 60.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.553 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 6.8 m -66.94 -35.67 80.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.611 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 25.1 t -79.44 -0.78 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.354 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 75.94 8.12 3.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.458 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' B' ' 69' ' ' VAL . 20.6 mt -62.41 -118.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.388 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' B' ' 68' ' ' LEU . 33.5 m -41.79 168.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.961 0.41 . . . . 1.0 111.421 -178.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -141.32 145.85 35.98 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.158 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -106.46 134.9 48.89 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.977 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -105.38 131.55 52.68 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.066 -0.516 . . . . 1.0 109.881 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -89.8 120.49 31.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.846 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -137.41 88.84 2.37 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.67 -164.2 42.68 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.443 -1.063 . . . . 1.0 110.443 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.86 -9.88 11.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 1.0 110.384 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 43.9 t -96.28 115.64 27.75 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.757 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 54.5 mtm -98.43 140.27 32.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.177 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.6 pt -139.51 162.25 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.398 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' B' ' 80' ' ' TYR . 8.5 m-85 -131.49 165.97 22.39 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.468 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 18.8 m -159.84 -172.57 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.708 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 25.8 mt -61.78 172.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.398 . . . . 1.0 110.785 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 0.5 OUTLIER -81.49 -72.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.497 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.52 ' CG ' ' HD1' ' B' ' 86' ' ' HIS . 30.2 p30 -161.91 -170.76 2.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 1.0 109.764 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.514 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 18.3 pt -71.88 58.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.882 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.52 ' HD1' ' CG ' ' B' ' 84' ' ' ASP . 33.1 m80 -146.03 -41.59 0.21 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.274 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 28.8 m -81.12 -37.15 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.727 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.42 -34.39 77.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.848 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 25.7 p -67.07 -64.72 0.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.686 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -46.96 -22.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.839 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -67.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.357 -178.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -65.74 -8.87 23.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.098 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.412 ' O ' ' OE1' ' B' ' 93' ' ' GLN . 1.3 tm0? -85.47 -31.33 22.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.877 0.37 . . . . 1.0 110.208 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.18 -52.03 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.261 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 9.9 tp -53.38 -26.93 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.008 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -68.86 -42.19 77.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.036 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.447 ' HE2' ' HD1' ' A' ' 67' ' ' HIS . 18.4 t60 -70.84 -26.07 63.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.64 -179.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.54 -33.78 60.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.762 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.525 ' O ' ' CG ' ' B' ' 100' ' ' HIS . 2.7 t-20 -73.75 75.58 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.812 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' B' ' 99' ' ' ASN . 37.5 m80 -159.91 66.0 2.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.045 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.3 115.57 1.62 Allowed 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.398 2.065 . . . . 1.0 111.916 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -63.96 179.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.565 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.98 -1.009 . . . . 1.0 110.584 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 109.431 -0.581 . . . . 1.0 109.431 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 t -53.96 -28.68 38.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.723 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -68.12 -61.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.259 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.4 p -55.36 -32.97 63.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.406 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tt -63.19 -17.08 62.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.252 0.549 . . . . 1.0 109.755 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -80.86 -14.68 57.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.869 -0.789 . . . . 1.0 108.869 174.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -96.55 -32.15 12.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.075 -0.966 . . . . 1.0 111.851 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.7 m -73.26 -12.81 15.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.258 -0.577 . . . . 1.0 110.562 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.9 m -88.75 -70.12 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.564 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -46.46 -31.55 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.489 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 20' ' ' PHE . 17.8 tt -51.78 -42.32 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.345 . . . . 1.0 110.703 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.413 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 59.2 m-85 -73.42 -49.52 26.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.803 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -46.66 -25.83 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.922 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.22 68.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.917 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -85.91 -6.76 59.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.735 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.58 -64.39 1.62 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.405 -0.678 . . . . 1.0 111.405 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -44.6 110.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.877 0.37 . . . . 1.0 110.963 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -63.26 -18.85 64.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.938 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -77.79 -38.25 47.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.79 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -72.77 -50.71 22.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.991 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.2 tp -54.98 -28.76 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.581 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -68.69 -28.49 66.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.693 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.9 mt -75.4 -33.05 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.415 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 52.6 mtt -65.06 -35.41 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.571 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.07 -39.07 88.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.661 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.66 -59.18 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.384 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 41.2 mt -54.27 -20.39 6.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.728 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -70.02 -43.52 71.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.465 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.0 t -76.55 -29.44 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.537 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.0 p -173.45 130.87 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.826 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.487 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -72.13 155.16 40.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.496 179.162 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.36 -177.59 6.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.841 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 m -95.37 155.85 16.57 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.197 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -49.02 -42.26 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.398 -0.364 . . . . 1.0 111.304 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.99 -42.38 94.75 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 121.198 -0.525 . . . . 1.0 112.368 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -70.08 -34.76 73.58 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 122.636 -0.332 . . . . 1.0 111.746 -175.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.484 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 31.0 pt -73.35 -13.21 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.276 -0.57 . . . . 1.0 109.981 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 50' ' ' ASN . 14.9 t -57.65 -15.29 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.455 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -60.32 -10.83 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.023 0.439 . . . . 1.0 110.167 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 45' ' ' ILE . 2.8 mp0 -96.01 -57.17 2.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.534 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' A' ' 49' ' ' LEU . 9.4 mp -82.58 -38.06 24.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.668 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' SER . 7.5 p30 43.87 90.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.633 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.432 ' CG ' ' H ' ' A' ' 52' ' ' SER . 4.4 tp -169.66 -143.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.931 -0.577 . . . . 1.0 109.706 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.678 ' HG ' ' HG ' ' A' ' 54' ' ' SER . 12.6 t -73.64 134.75 43.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 1.0 110.395 179.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -74.68 -18.76 60.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.748 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.678 ' HG ' ' HG ' ' A' ' 52' ' ' SER . 76.9 p -80.77 -25.06 38.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.474 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -74.04 -44.45 54.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.525 . . . . 1.0 111.027 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.4 p -70.75 -35.24 59.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.821 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.8 p -70.87 -32.8 69.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.84 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 54' ' ' SER . 36.9 m170 -65.63 -49.52 68.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.781 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.6 -20.97 63.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.807 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.68 -35.97 82.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.844 0.354 . . . . 1.0 110.055 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -71.13 -37.34 72.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.407 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.22 -51.37 44.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.242 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.99 -19.84 65.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.255 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -69.76 -14.59 62.85 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.529 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 67' ' ' HIS . 18.5 p -73.7 -52.62 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.535 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.2 m -68.38 6.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.417 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.51 ' H ' ' C ' ' A' ' 65' ' ' SER . 54.6 t60 58.57 13.99 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.024 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.7 tp -74.52 -11.81 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 1.0 110.421 -179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.0 t -138.61 158.23 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.28 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -143.96 135.33 25.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.16 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.89 143.99 31.77 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.74 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -127.56 143.82 51.13 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.146 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -90.22 124.87 35.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.6 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.42 ' O ' ' OE1' ' A' ' 74' ' ' GLN . 11.0 tm0? -148.69 89.18 1.67 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.266 -0.425 . . . . 1.0 109.86 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.61 176.45 42.68 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.319 -1.112 . . . . 1.0 110.319 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -49.62 -19.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 1.0 110.446 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 m -91.13 134.39 34.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.749 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.526 ' O ' ' CE2' ' A' ' 80' ' ' TYR . 24.9 mtt -95.66 96.09 8.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.318 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.4 mt -80.19 149.95 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.561 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.526 ' CE2' ' O ' ' A' ' 78' ' ' MET . 55.4 m-85 -130.55 149.54 52.16 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.07 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 82' ' ' LEU . 92.0 p -159.22 -172.17 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 1.0 110.705 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 81' ' ' SER . 14.5 mt -59.74 -145.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.543 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 40.4 p30 -173.52 -18.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.863 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 83' ' ' ASP . 6.9 m-20 -160.96 149.91 16.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.888 0.375 . . . . 1.0 110.522 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 12.5 pt -81.57 63.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.655 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 37.5 m80 -149.35 -25.73 0.28 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.636 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.8 m -70.39 -44.85 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.817 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.53 -52.39 64.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.752 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 93' ' ' GLN . 11.2 p -54.99 -43.85 73.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.83 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 9.9 ttt -46.43 -47.91 18.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.015 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.3 mt -66.05 -53.66 35.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.832 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -70.68 -16.26 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.124 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 89' ' ' THR . 41.0 tt0 -83.14 -32.2 26.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.92 0.391 . . . . 1.0 110.623 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.41 -55.67 7.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.692 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.0 tt -58.22 -25.79 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.692 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -67.31 -31.61 72.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.843 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -72.45 -60.25 2.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.775 -0.37 . . . . 1.0 110.692 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.33 -77.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.852 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -87.46 66.79 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.001 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.597 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 12.3 t-160 -76.78 -35.26 1.42 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.639 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 100' ' ' HIS . 40.7 Cg_endo -91.1 133.29 1.58 Allowed 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 122.089 1.859 . . . . 1.0 112.263 -178.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -72.79 -20.72 61.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.602 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.939 -1.029 . . . . 1.0 110.578 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.531 ' HG1' ' N ' ' B' ' 11' ' ' ASP . 31.1 p -88.3 -37.07 16.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.791 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.531 ' N ' ' HG1' ' B' ' 10' ' ' THR . 17.6 p-10 -72.97 -34.49 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.775 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -55.65 -67.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.766 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' B' ' 13' ' ' LEU . 8.3 mp -45.38 -35.09 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.439 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.17 -46.69 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.039 0.447 . . . . 1.0 110.636 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 51.5 ttm-85 -64.15 -30.83 71.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.859 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 83.5 t -67.33 -63.11 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.425 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -48.65 -36.1 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.53 -0.468 . . . . 1.0 110.666 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -59.47 -24.15 63.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.792 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 84.2 mt -62.89 -56.95 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.727 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -53.51 -54.03 42.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.671 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -45.1 -37.79 4.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.936 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.56 -31.51 68.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.666 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' B' ' 25' ' ' ASP . 7.1 mp -92.23 -17.85 24.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 1.0 109.959 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.11 75.29 0.01 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.18 -0.768 . . . . 1.0 111.18 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' B' ' 23' ' ' LEU . 11.2 m-20 -167.08 164.45 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -88.18 -71.57 0.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.919 0.39 . . . . 1.0 111.968 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -66.39 -22.02 66.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 1.0 112.419 -173.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -73.3 -33.19 65.06 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.557 -0.457 . . . . 1.0 110.985 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' B' ' 25' ' ' ASP . 82.6 mt -71.22 -33.72 51.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.964 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -64.82 -29.93 70.91 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.699 -0.4 . . . . 1.0 110.582 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 89.1 mt -74.78 -53.5 16.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.596 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 54.2 mtt -47.49 -42.31 22.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.665 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -55.66 -56.42 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.692 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -38.44 87.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.103 0.477 . . . . 1.0 110.398 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.08 -62.47 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.637 -178.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -48.91 -64.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.753 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 22.8 m -50.89 -22.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 1.0 112.012 -175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 24.4 t -166.22 112.55 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.26 -0.576 . . . . 1.0 111.693 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.56 147.83 40.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.444 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.72 178.23 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.568 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.1 t -96.63 157.51 15.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.136 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 88.8 t -51.07 -50.18 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.805 0.336 . . . . 1.0 110.642 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.07 -43.45 95.15 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.419 -0.673 . . . . 1.0 111.419 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -67.0 -32.43 73.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 1.0 110.883 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.406 HG23 HD11 ' B' ' 45' ' ' ILE . 94.5 mt -70.13 -23.38 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.144 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.524 ' O ' ' N ' ' B' ' 50' ' ' ASN . 27.4 t -48.19 -48.14 34.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 1.0 110.504 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -51.25 -19.33 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.927 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -90.74 -22.23 21.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.623 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 10.7 tp -160.02 55.8 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.204 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 46' ' ' SER . 3.1 m120 -43.27 106.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.317 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' B' ' 52' ' ' SER . 2.0 tt -168.38 108.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.361 178.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.437 ' C ' ' O ' ' B' ' 51' ' ' LEU . 4.6 m 5.14 111.74 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.72 1.262 . . . . 1.0 113.981 -178.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.53 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 20.2 mp0 -44.48 -41.98 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.937 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 34.1 t -44.34 -38.97 4.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 1.0 110.908 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -70.02 -42.19 73.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 57.0 t -71.93 -38.3 64.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.033 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -57.92 -31.95 67.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.495 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -78.08 -52.07 9.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.246 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -55.79 -53.27 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.728 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 tp -52.43 -35.24 51.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 1.0 110.836 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -57.83 -27.71 63.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.694 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 27.4 tp -81.89 -45.12 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.694 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.55 -37.43 83.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.663 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -75.35 -18.8 59.9 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.336 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.523 ' C ' ' H ' ' B' ' 67' ' ' HIS . 8.1 t -65.81 -54.21 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.566 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 p -63.1 -0.49 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.208 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' B' ' 65' ' ' SER . 6.7 t-160 71.48 13.7 6.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.668 -0.697 . . . . 1.0 111.287 177.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 39.3 tp -65.52 -14.49 61.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.122 0.486 . . . . 1.0 109.945 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.41 160.12 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.866 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -140.63 120.95 13.97 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.872 0.367 . . . . 1.0 110.551 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.75 162.06 13.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.027 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -144.69 159.53 42.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.377 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -80.78 99.83 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.704 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -121.0 106.34 11.5 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.877 -0.416 . . . . 1.0 109.877 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 66.15 -166.82 36.59 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.195 -1.162 . . . . 1.0 110.195 -177.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -80.02 29.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.786 0.327 . . . . 1.0 110.361 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.451 ' H ' ' C ' ' B' ' 75' ' ' GLY . 19.6 m -139.55 152.92 47.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.071 0.462 . . . . 1.0 110.792 -178.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 7.7 ttt -94.67 120.56 35.09 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.442 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 18.7 tt -109.12 138.97 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.326 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -107.44 135.77 48.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.529 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.664 ' HG ' ' H ' ' B' ' 82' ' ' LEU . 8.4 t -161.82 -166.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.366 179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.664 ' H ' ' HG ' ' B' ' 81' ' ' SER . 0.8 OUTLIER -174.04 177.03 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.514 179.448 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . 0.455 ' O ' ' CB ' ' B' ' 84' ' ' ASP . 8.7 m-20 -66.26 -83.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.289 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' B' ' 83' ' ' ASP . 0.6 OUTLIER 97.09 -165.66 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 O-C-N 124.476 1.11 . . . . 1.0 110.429 -179.533 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER 81.52 -38.95 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 109.268 -0.641 . . . . 1.0 109.268 -177.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.41 ' O ' ' OG1' ' B' ' 89' ' ' THR . 33.0 m170 -92.18 -88.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.317 178.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' B' ' 90' ' ' MET . 34.6 m -46.4 -42.57 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.092 -178.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.43 -40.0 5.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 1.0 110.828 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 86' ' ' HIS . 68.2 p -68.15 -36.72 80.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.423 179.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' MET . . . . . 0.428 ' N ' ' O ' ' B' ' 87' ' ' VAL . 34.4 ttp -47.14 -35.15 6.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.394 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.8 mt -70.48 -52.8 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.406 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.68 -56.12 18.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.979 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -43.05 -30.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.189 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.1 -62.71 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.886 -0.326 . . . . 1.0 110.45 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.44 -20.73 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.409 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.405 ' HD1' ' C ' ' B' ' 96' ' ' HIS . 1.2 t-80 -68.87 -54.42 15.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.763 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -67.34 -10.35 50.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.46 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.45 -35.36 25.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.528 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -159.91 114.55 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.283 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -68.48 151.66 97.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.322 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -39.1 108.56 0.08 OUTLIER 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 121.916 1.744 . . . . 1.0 112.503 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -79.31 110.73 14.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.455 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.553 -179.918 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.475 ' C ' ' H ' ' A' ' 11' ' ' ASP . 11.3 m120 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.387 -0.597 . . . . 1.0 109.387 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 t -46.61 -15.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.676 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.475 ' H ' ' C ' ' A' ' 9' ' ' ASN . 55.4 m-20 -70.68 -59.01 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.554 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.2 m -62.17 -28.47 69.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.6 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.08 -67.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.376 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.36 -19.82 65.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.408 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -58.3 -33.07 69.06 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.639 -0.424 . . . . 1.0 110.492 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.41 -38.8 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.728 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.557 ' HG1' ' N ' ' A' ' 18' ' ' GLU . 16.0 p -68.87 -38.82 79.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.552 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.557 ' N ' ' HG1' ' A' ' 17' ' ' THR . 62.4 mt-10 -56.51 -23.73 41.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.704 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.4 mt -71.0 -42.41 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.756 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -70.67 -57.78 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.899 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -49.3 -41.47 38.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.702 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.22 -27.31 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.619 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 24' ' ' GLY . 35.5 mt -71.56 -76.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.23 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . 56.02 157.54 0.01 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.3 -0.72 . . . . 1.0 111.3 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 24' ' ' GLY . 12.3 m-20 59.14 128.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 1.0 111.011 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 27' ' ' ASN . 42.8 p90 -75.88 -29.86 58.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.489 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.454 HD22 ' CD2' ' A' ' 49' ' ' LEU . 37.7 t-20 -63.57 -40.74 97.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.621 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -65.0 -43.1 93.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.821 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.16 -20.06 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.795 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -73.59 -31.46 63.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 1.0 110.308 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.22 -38.55 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.139 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.9 tpt -61.8 -31.57 71.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.511 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -60.13 -44.37 94.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.68 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.2 tp -59.23 -51.06 71.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.516 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 mt -46.28 -37.28 7.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.72 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -61.11 -62.52 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 1.0 110.847 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -49.72 -48.93 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.809 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 t -166.49 152.27 8.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 23.7 mp0 -53.88 168.35 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.524 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.29 132.19 8.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.67 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.4 t -76.34 171.31 14.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.531 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.44 ' CG1' ' H ' ' A' ' 43' ' ' GLY . 7.0 p -58.27 -56.61 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.778 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' H ' ' CG1' ' A' ' 42' ' ' VAL . . . -66.28 -41.74 94.5 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.168 -0.773 . . . . 1.0 111.168 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.457 ' O ' ' ND1' ' A' ' 44' ' ' HIS . 19.4 t-80 -47.74 -29.13 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.677 0.275 . . . . 1.0 110.778 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.5 mt -75.07 -33.95 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.63 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' ASN . 8.6 t -44.16 -55.01 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 1.0 111.031 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -67.8 -22.72 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.102 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -65.85 -26.18 67.54 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.577 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' CD2' HD22 ' A' ' 27' ' ' ASN . 6.1 tp -164.59 48.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.742 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.525 ' CG ' ' H ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER 54.02 -141.78 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.036 178.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.525 ' H ' ' CG ' ' A' ' 50' ' ' ASN . 10.1 mp 53.79 -175.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 -177.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.3 p -128.85 -165.1 1.46 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.578 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -73.76 -38.66 64.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.861 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.3 p -48.66 -43.46 36.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.866 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -66.97 -42.52 84.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.928 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.2 t -67.7 -42.61 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.673 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.9 p -57.1 -46.08 82.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.371 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -65.99 -30.38 70.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.695 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 61' ' ' LYS . 32.7 tt0 -70.67 -69.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.567 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 54.5 mt -44.52 -16.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.902 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 59' ' ' GLN . 5.9 tppt? -74.87 -45.3 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.687 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.86 -40.72 95.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.636 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 3.2 mm? -66.5 -35.61 80.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -49.43 -44.88 45.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.594 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 t -54.31 -51.33 65.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.533 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.6 t -75.44 -15.46 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.397 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.0 t60 59.18 26.98 15.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.769 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.46 -13.55 62.13 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.754 -0.462 . . . . 1.0 109.754 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.3 m -131.63 146.54 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.246 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 81' ' ' SER . 34.7 ttpt -117.77 158.16 25.26 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.315 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -162.27 151.48 15.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.565 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -147.18 128.56 14.89 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.811 -0.44 . . . . 1.0 109.811 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -61.18 152.59 28.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.229 0.538 . . . . 1.0 111.826 -175.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -149.8 83.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.206 -0.907 . . . . 1.0 109.446 178.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.19 -157.64 37.18 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.882 -1.287 . . . . 1.0 109.882 -176.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -71.28 -9.73 58.59 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.791 -0.363 . . . . 1.0 110.673 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -93.04 121.93 34.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.788 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.7 mtt -85.81 91.39 8.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.144 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.1 tp -81.1 134.86 26.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.056 0.455 . . . . 1.0 110.851 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -115.23 149.27 38.01 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.158 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 70' ' ' LYS . 51.8 p -153.87 -178.77 7.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.554 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.65 175.63 7.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.154 -0.475 . . . . 1.0 109.863 179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 17.6 t70 -71.45 -97.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.67 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 83' ' ' ASP . 16.4 m-20 -142.82 -135.44 0.1 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.408 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.518 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 24.3 mt -88.89 85.03 2.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.725 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 41.9 m80 -160.3 -40.0 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.504 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.0 m -83.32 -29.89 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.535 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.76 -58.53 7.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.686 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.47 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 2.8 t -61.05 -29.35 69.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.636 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.3 tpp -49.07 -65.55 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.744 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.412 ' CD1' ' N ' ' A' ' 91' ' ' LEU . 10.2 mp -53.34 -39.63 64.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.488 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -66.25 -71.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.745 -0.382 . . . . 1.0 110.868 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.594 HE22 ' NE2' ' B' ' 93' ' ' GLN . 34.5 mt-30 -42.18 -26.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.43 -178.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.07 -64.09 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.111 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.5 tt -69.1 -9.89 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.872 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -68.63 -49.79 56.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.292 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -79.64 -8.89 59.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.775 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.68 -13.85 61.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.874 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.521 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 31.0 p30 -172.42 179.75 2.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.564 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 99' ' ' ASN . 93.3 m-70 -160.77 133.85 4.68 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.163 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -41.02 -61.26 0.51 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 121.561 1.507 . . . . 1.0 112.715 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.468 ' CB ' ' HZ3' ' A' ' 102' ' ' LYS . 9.8 mtmp? 56.24 104.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.608 -178.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.697 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.484 ' CG ' ' H ' ' B' ' 10' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.484 ' H ' ' CG ' ' B' ' 9' ' ' ASN . 41.1 p -51.77 -13.34 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 1.0 110.628 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' B' ' 9' ' ' ASN . 31.1 t70 -75.74 -45.89 34.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.487 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 85.0 m -68.35 -54.84 14.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.479 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -45.7 -29.51 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.222 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.419 ' O ' ' OG1' ' B' ' 17' ' ' THR . 30.8 tt0 -65.39 -45.14 85.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.41 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -70.45 -38.67 74.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.181 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 40.6 t -64.08 -14.31 15.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.498 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 37.0 p -91.21 -34.14 15.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 1.0 110.669 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -72.5 -25.64 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 1.0 111.253 -178.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.462 ' CG2' ' N ' ' B' ' 20' ' ' PHE . 18.7 tt -57.19 -45.32 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.815 -0.354 . . . . 1.0 110.745 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.462 ' N ' ' CG2' ' B' ' 19' ' ' ILE . 89.0 m-85 -71.85 -54.61 9.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.983 -178.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -47.21 -30.85 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.529 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.429 ' O ' ' NH1' ' B' ' 28' ' ' ARG . . . -51.72 -30.36 22.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.741 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.529 ' CD1' ' N ' ' B' ' 23' ' ' LEU . 7.0 mp -75.9 -65.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.163 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.33 -96.47 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.51 148.99 8.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.334 . . . . 1.0 110.852 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -83.0 -24.28 32.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.64 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.433 ' C ' HD21 ' B' ' 27' ' ' ASN . 0.4 OUTLIER -56.62 -34.37 67.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.8 -179.55 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' B' ' 22' ' ' ALA . 85.0 mtt180 -69.89 -27.7 65.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.575 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.4 mt -74.42 -31.91 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.879 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -64.85 -30.8 71.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 1.0 110.721 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.13 -47.25 79.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 15.5 ttt -48.89 -40.95 31.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.705 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.429 ' O ' ' OG ' ' B' ' 36' ' ' SER . 47.8 mt-10 -65.29 -46.32 80.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.612 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.35 -46.09 69.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.448 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 31.0 mt -76.58 -5.28 47.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.969 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 33' ' ' GLU . 13.1 p -84.91 -49.78 8.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.75 0.309 . . . . 1.0 110.631 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.427 ' O ' ' OG ' ' B' ' 38' ' ' SER . 35.2 m -69.02 -32.52 54.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.83 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.427 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 40.6 m -170.8 159.16 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.683 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -69.47 168.28 14.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.258 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.42 136.42 11.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.772 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.7 t -77.95 -159.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.641 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 76.1 t -77.03 -64.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.566 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.01 -40.44 88.69 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.162 -0.542 . . . . 1.0 112.025 -176.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -45.69 -23.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.714 -0.286 . . . . 1.0 111.548 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 8.7 tt -72.51 -29.93 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 1.0 110.664 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.514 ' O ' ' N ' ' B' ' 50' ' ' ASN . 53.3 p -45.98 -48.55 16.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.592 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -51.07 -27.06 7.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.535 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -96.31 -58.51 2.05 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.384 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 10.1 mp -106.89 54.2 0.68 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.151 -0.477 . . . . 1.0 109.735 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' B' ' 46' ' ' SER . 4.4 t-20 -41.35 107.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 1.0 111.285 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 tp -170.4 -154.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.949 -0.569 . . . . 1.0 109.502 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -75.24 132.48 41.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 1.0 110.362 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -69.52 -17.28 63.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.62 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 12.6 t -81.26 -24.97 36.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.632 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.451 HD21 ' N ' ' B' ' 55' ' ' ASN . 1.3 m120 -67.16 -43.2 82.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.656 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 t -71.75 -36.42 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.615 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 45.8 p -61.45 -34.7 75.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.363 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.12 -40.79 51.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.572 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -69.92 -46.74 64.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.575 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 tp -52.78 -33.8 50.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.558 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -69.24 -36.33 77.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.28 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.04 -55.26 36.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 1.0 109.916 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.3 mt -51.43 -22.32 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.065 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.423 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 16.7 tptm -71.41 -28.48 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.754 -0.379 . . . . 1.0 110.408 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.8 m -48.21 -58.72 4.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.344 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -72.59 -5.63 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.16 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' B' ' 64' ' ' LYS . 28.5 m-70 60.54 21.76 11.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.368 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tp -54.38 -13.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.548 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 m -143.82 169.42 10.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.074 0.464 . . . . 1.0 110.669 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -127.93 175.25 8.51 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.747 -0.66 . . . . 1.0 109.802 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.02 134.32 26.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.536 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -128.32 143.5 51.02 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.163 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 55.6 ttp85 -93.02 146.21 23.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.751 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -151.66 93.11 1.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.266 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.3 -113.66 3.68 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.573 -1.011 . . . . 1.0 110.573 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -113.88 -27.31 7.8 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.845 0.355 . . . . 1.0 110.251 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -84.87 143.14 29.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.661 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.51 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -94.26 120.73 34.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.367 179.12 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.408 HG23 HD13 ' B' ' 79' ' ' ILE . 17.6 mm -100.11 149.51 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.408 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -137.57 154.02 49.86 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.401 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.7 t -159.56 -172.69 3.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.807 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -68.09 -160.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.006 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -171.68 122.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.666 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 t0 75.96 133.31 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.459 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 11.5 pt -85.02 66.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.385 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' B' ' 85' ' ' ILE . 34.2 m80 -151.63 -33.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.236 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' B' ' 88' ' ' ALA . 10.1 m -67.5 -45.17 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.664 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.449 ' N ' ' CG2' ' B' ' 87' ' ' VAL . . . -57.11 -39.54 75.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.962 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.501 ' HG1' ' H ' ' B' ' 90' ' ' MET . 73.9 p -66.46 -46.99 74.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.932 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' MET . . . . . 0.501 ' H ' ' HG1' ' B' ' 89' ' ' THR . 40.4 ttm -44.58 -47.41 10.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.949 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.06 -47.53 85.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.682 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -68.93 -65.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.798 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.594 ' NE2' HE22 ' A' ' 93' ' ' GLN . 24.8 mt-30 -41.59 -30.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.297 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.67 -67.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.72 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 pt -65.69 -9.35 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.43 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -71.15 -31.83 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.016 0.436 . . . . 1.0 109.917 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.537 ' C ' ' H ' ' B' ' 99' ' ' ASN . 24.3 t60 -67.89 -53.59 25.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.908 -0.587 . . . . 1.0 109.944 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.04 23.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.095 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.537 ' H ' ' C ' ' B' ' 97' ' ' HIS . 10.3 t-20 -143.23 79.0 1.62 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.87 0.367 . . . . 1.0 110.485 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' B' ' 101' ' ' PRO . 7.9 m-70 -121.44 83.82 41.04 Favored Pre-proline 0 N--CA 1.466 0.328 0 N-CA-C 109.586 -0.524 . . . . 1.0 109.586 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' B' ' 100' ' ' HIS . 50.8 Cg_exo -55.64 -139.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.509 2.139 . . . . 1.0 112.729 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -44.24 143.44 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.953 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.053 -0.975 . . . . 1.0 110.651 179.759 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.587 ' N ' HD21 ' A' ' 9' ' ' ASN . 1.5 m120 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -45.95 -18.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.719 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.436 ' N ' ' C ' ' A' ' 9' ' ' ASN . 21.7 t0 -64.03 -43.98 93.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.502 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.555 ' HG1' ' N ' ' A' ' 13' ' ' LEU . 61.5 p -66.67 -61.21 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.587 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.555 ' N ' ' HG1' ' A' ' 12' ' ' THR . 40.7 tp -40.56 -21.37 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.004 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 12' ' ' THR . 31.5 tt0 -76.12 -54.91 6.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.73 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -64.12 -9.9 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.846 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.76 -28.69 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.741 -0.384 . . . . 1.0 111.086 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -86.86 -29.13 22.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.727 0.299 . . . . 1.0 110.736 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -71.22 -32.63 69.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.38 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 pt -64.03 -32.44 57.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.875 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' LEU . 60.8 m-85 -77.21 -53.68 7.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 1.0 110.528 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -47.94 -25.13 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.382 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.05 -34.34 29.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.432 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 24' ' ' GLY . 38.8 tp -65.77 -26.49 67.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.187 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -55.35 -122.65 0.01 OUTLIER Glycine 0 CA--C 1.526 0.777 0 CA-C-N 115.854 -0.612 . . . . 1.0 111.603 -177.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' GLY . 3.3 m-20 46.94 93.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.36 . . . . 1.0 110.292 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -50.33 -20.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.8 -178.083 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -78.38 -39.49 39.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.835 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -77.29 -44.53 29.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.336 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 30' ' ' ARG . 20.4 tt -52.89 -44.87 50.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.812 -0.355 . . . . 1.0 111.251 -176.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.526 ' NH2' ' O ' ' A' ' 48' ' ' GLN . 1.7 tmm_? -72.1 -32.64 67.19 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.513 -0.475 . . . . 1.0 110.749 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.5 mt -69.09 -28.79 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.9 tpt -62.14 -31.71 72.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.301 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.34 -36.65 84.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.41 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 tp -64.81 -60.91 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.366 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.3 mt -43.09 -39.25 2.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.94 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -54.16 -53.2 56.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 1.0 110.5 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.0 t -54.6 -45.93 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.384 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.6 p -173.97 137.42 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.475 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -44.69 161.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.847 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.89 136.41 12.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.432 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.1 m -75.68 173.23 11.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.544 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.96 -53.34 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.944 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.07 -36.92 93.07 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.349 -0.701 . . . . 1.0 111.349 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -64.44 -25.65 68.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 1.0 110.849 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 91.0 mt -81.3 -26.85 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.948 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 50' ' ' ASN . 37.9 t -56.91 -11.08 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.885 -0.326 . . . . 1.0 111.217 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -89.57 -11.47 42.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 1.0 110.333 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.526 ' O ' ' NH2' ' A' ' 30' ' ' ARG . 32.3 mm-40 -74.68 -55.55 5.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.973 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 tt -161.17 -34.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 1.0 110.574 -176.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 46' ' ' SER . 6.1 m120 -81.13 141.18 34.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.982 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 2.9 mm? -94.13 -60.48 1.73 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 1.0 109.961 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 t -74.09 139.89 44.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.871 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -82.23 -36.95 26.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.468 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.3 t -56.41 -30.98 63.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.479 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -66.96 -42.76 84.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.383 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 t -71.67 -38.65 67.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.577 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.2 m -63.64 -37.18 86.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.671 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -76.03 -46.4 29.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.651 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -67.93 -46.85 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.832 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 tp -55.67 -32.97 63.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.481 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -69.28 -30.93 69.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.819 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.2 tp -68.79 -33.89 74.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.246 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.1 mt -76.04 -25.46 55.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.34 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -52.72 -37.09 58.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.28 -0.418 . . . . 1.0 109.959 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.525 ' C ' ' H ' ' A' ' 67' ' ' HIS . 69.5 m -54.22 -52.62 60.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.142 178.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.526 ' O ' ' CG ' ' A' ' 67' ' ' HIS . 2.8 t -68.13 4.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.225 0.536 . . . . 1.0 109.698 177.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 66' ' ' VAL . 20.0 p80 41.89 27.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.515 -0.766 . . . . 1.0 111.513 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.12 -16.97 8.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.086 0.47 . . . . 1.0 109.859 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -147.99 178.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.345 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -151.03 129.27 11.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.452 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.54 158.89 15.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.222 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -143.11 156.85 44.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.358 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -89.42 141.17 28.8 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.177 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -152.96 122.88 6.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.898 0.38 . . . . 1.0 110.314 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.77 -136.65 44.1 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.757 -0.937 . . . . 1.0 110.757 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.447 ' N ' ' CD ' ' A' ' 76' ' ' GLN . 3.4 mp0 -99.88 19.71 15.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.729 0.3 . . . . 1.0 110.737 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.7 p -147.6 170.64 17.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.045 0.45 . . . . 1.0 110.901 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.6 mtt -118.83 149.68 41.12 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.76 -0.654 . . . . 1.0 110.102 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.7 pt -137.73 161.56 33.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.875 0.369 . . . . 1.0 110.372 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 21.2 m-85 -125.59 158.09 35.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.488 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.0 m -158.31 -174.56 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.27 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 84' ' ' ASP . 3.2 pp -95.7 161.31 14.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.141 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 33.6 t70 -58.65 -120.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.428 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.461 ' H ' ' CG ' ' A' ' 83' ' ' ASP . 12.0 m-20 -85.22 -139.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.327 . . . . 1.0 110.347 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.0 mt -108.21 -21.32 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.046 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -49.53 -35.45 20.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.736 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.7 m -65.73 -47.23 86.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.401 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.57 -23.19 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.383 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.3 m -78.49 -33.84 47.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.552 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 mmt -59.92 -31.23 69.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.477 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.76 -52.27 15.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.462 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.87 -62.8 1.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.596 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -41.9 -34.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.391 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.95 -64.44 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 1.0 110.884 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.5 pt -65.66 -7.27 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.581 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -77.39 -45.46 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.44 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 97' ' ' HIS . 23.0 t60 -78.52 -14.7 59.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.343 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.25 -5.16 53.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.645 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.516 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 58.4 t30 -163.72 177.2 8.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.978 0.418 . . . . 1.0 110.922 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 99' ' ' ASN . 29.7 m80 -162.85 69.12 1.95 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.269 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.52 -174.62 2.25 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.582 2.188 . . . . 1.0 112.238 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.436 ' NZ ' ' CB ' ' A' ' 102' ' ' LYS . 2.9 ttmp? -157.77 138.13 12.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.52 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--O 1.22 -0.447 0 CA-C-O 117.948 -1.025 . . . . 1.0 110.658 -179.453 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.449 HD21 ' N ' ' B' ' 9' ' ' ASN . 2.3 m120 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t -56.26 -14.94 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.671 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -64.73 -64.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.819 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 11.1 t -72.53 -44.64 61.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.87 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -45.47 -25.14 0.39 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.993 -0.373 . . . . 1.0 109.993 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.432 ' OE2' ' NH1' ' B' ' 15' ' ' ARG . 31.2 tt0 -75.24 -55.25 5.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.667 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.442 ' CD ' ' N ' ' B' ' 15' ' ' ARG . 10.3 mpt_? -60.61 -40.03 90.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.816 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -51.78 -17.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.027 -0.269 . . . . 1.0 111.194 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 52.4 p -91.29 -34.63 14.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.695 0.283 . . . . 1.0 110.881 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -74.61 -19.25 60.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.654 -176.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 pt -75.7 -30.16 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.948 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -77.93 -55.35 5.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 1.0 110.465 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -47.74 -32.15 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.951 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.48 -25.06 68.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 1.0 110.649 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.0 mt -93.35 9.44 36.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.126 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.02 -79.79 0.07 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.345 -0.702 . . . . 1.0 111.345 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.69 132.92 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 1.0 111.275 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -74.01 -29.38 61.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.808 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -42.72 76.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.551 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.519 HH12 ' CG ' ' B' ' 59' ' ' GLN . 92.8 mtt-85 -65.55 -35.89 82.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.006 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.95 -27.03 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.08 -177.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -73.13 -35.66 66.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.903 0.382 . . . . 1.0 110.253 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 75.5 mt -66.22 -49.88 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.593 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 11.4 mmt -54.04 -29.58 44.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.593 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.3 -47.59 76.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.355 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 32.0 tp -50.49 -36.5 34.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.052 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 22.4 mt -63.39 -37.85 88.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.822 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -56.84 -32.13 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.713 0.292 . . . . 1.0 110.892 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 20.2 t -76.2 -48.31 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.818 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -179.91 146.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.574 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 5.0 mp0 -49.63 159.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.529 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.73 146.15 24.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.429 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 33.8 t -79.53 162.88 25.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.548 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 44.1 t -52.03 -53.05 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.51 -28.35 73.51 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.405 -0.678 . . . . 1.0 111.405 -178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -71.55 -37.69 71.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 1.0 110.945 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.412 HD13 HG23 ' B' ' 45' ' ' ILE . 95.7 mt -68.28 -15.42 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.502 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -61.48 -33.54 73.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.788 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -60.13 -11.62 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.546 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -89.06 -57.52 2.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.887 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -82.89 -29.48 29.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.842 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 11.3 m120 59.52 87.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.387 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.416 ' CG ' ' H ' ' B' ' 52' ' ' SER . 4.3 tp -174.11 -146.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.416 ' H ' ' CG ' ' B' ' 51' ' ' LEU . 67.6 m -80.85 136.56 36.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 1.0 110.336 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -61.53 -37.82 85.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.716 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 62.8 m -62.6 -16.63 57.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.721 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -64.57 -44.29 91.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.757 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 95.9 t -77.13 -34.65 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.816 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.3 p -60.21 -42.69 95.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.46 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -71.97 -39.65 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.728 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.519 ' CG ' HH12 ' B' ' 28' ' ' ARG . 12.4 tt0 -75.1 -27.46 59.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 1.0 111.051 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.39 -36.44 82.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.056 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -77.17 -34.24 56.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.637 -177.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.33 -33.46 71.15 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.409 -0.517 . . . . 1.0 110.37 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 36.0 mt -75.59 -19.88 58.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 1.0 110.114 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -69.06 -12.29 61.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.402 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.515 ' C ' ' H ' ' B' ' 67' ' ' HIS . 75.0 m -77.14 -46.74 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.118 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 5.3 m -72.38 15.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.85 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.515 ' H ' ' C ' ' B' ' 65' ' ' SER . 4.4 m-70 72.19 9.79 5.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 1.0 112.114 176.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' B' ' 69' ' ' VAL . 9.7 mp -100.95 160.16 14.6 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 108.747 -0.834 . . . . 1.0 108.747 174.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.441 ' O ' ' O ' ' B' ' 68' ' ' LEU . 15.3 m 55.89 140.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 O-C-N 123.82 0.7 . . . . 1.0 111.802 -175.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -156.83 139.47 15.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.549 -0.75 . . . . 1.0 109.481 -178.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.91 158.37 16.33 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.152 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -136.79 155.61 49.59 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.445 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -91.3 117.47 29.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.492 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -140.18 100.55 3.93 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.221 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.484 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 54.48 58.55 12.69 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.149 -0.781 . . . . 1.0 111.149 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 52.79 9.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.689 0.281 . . . . 1.0 110.941 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.484 ' H ' ' C ' ' B' ' 75' ' ' GLY . 4.9 m -118.47 120.0 36.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.275 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.577 ' N ' ' SD ' ' B' ' 78' ' ' MET . 2.0 mpt? -83.4 120.01 25.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.024 -179.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.41 HD12 HG21 ' B' ' 79' ' ' ILE . 21.5 mm -103.99 127.86 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.111 178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' B' ' 81' ' ' SER . 2.5 t80 -105.64 141.1 37.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.999 0.428 . . . . 1.0 110.031 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.544 ' N ' ' CD1' ' B' ' 80' ' ' TYR . 16.3 p -159.8 -172.06 3.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.216 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 16.0 mt -57.71 -161.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.579 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -122.98 -31.38 3.64 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.249 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.454 ' CG ' ' H ' ' B' ' 85' ' ' ILE . 33.2 t0 -172.81 178.79 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.407 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.454 ' H ' ' CG ' ' B' ' 84' ' ' ASP . 15.5 tt -67.99 -16.07 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.677 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -67.93 -30.29 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.844 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 63.3 t -80.79 -37.75 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.036 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.07 94.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.97 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.419 ' O ' ' N ' ' B' ' 93' ' ' GLN . 72.5 p -73.62 -46.84 44.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.941 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 23.6 ttt -45.15 -43.15 9.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.963 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 28.4 tp -67.21 -41.62 85.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.998 0.428 . . . . 1.0 110.371 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -79.26 -15.39 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.061 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 89' ' ' THR . 7.6 tt0 -84.25 -31.59 24.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.802 0.334 . . . . 1.0 110.382 179.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.75 -49.78 49.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.452 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 6.9 mm -61.9 -19.33 21.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.078 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -68.97 -51.89 34.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.264 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -72.2 -13.88 61.65 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.824 -0.35 . . . . 1.0 110.908 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.36 -40.81 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.263 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.526 ' CG ' ' H ' ' B' ' 100' ' ' HIS . 64.9 t30 -172.03 179.1 2.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.766 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.526 ' H ' ' CG ' ' B' ' 99' ' ' ASN . 49.9 m-70 -153.64 67.9 6.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.799 -0.637 . . . . 1.0 109.996 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -43.25 111.17 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.827 2.352 . . . . 1.0 112.652 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -78.38 112.33 15.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.212 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.63 -179.105 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.271 -0.641 . . . . 1.0 109.271 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.8 p -82.45 -31.65 29.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.559 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.67 -46.22 59.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.736 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -62.81 -60.76 3.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.475 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.8 tp -47.36 -23.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.48 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -84.01 -50.97 7.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.619 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.472 HH21 ' CE1' ' A' ' 67' ' ' HIS . 64.6 ttt180 -49.79 -55.93 12.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.924 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 31.1 m -44.0 -40.53 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.194 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.5 m -55.95 -42.54 76.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.322 . . . . 1.0 110.746 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.21 -18.9 65.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.878 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.4 mt -85.14 -32.18 7.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.987 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -79.05 -13.05 60.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.125 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -92.62 -30.52 15.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.718 0.294 . . . . 1.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.11 -8.98 13.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.909 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 24' ' ' GLY . 15.7 mt -80.42 -11.92 59.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.838 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -55.72 -162.78 0.02 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 57.68 92.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.907 0.384 . . . . 1.0 110.922 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.431 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 45.3 p90 -52.68 -39.71 62.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' N ' ' CD2' ' A' ' 26' ' ' TYR . 8.4 p30 -58.86 -36.7 75.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.018 -178.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -65.66 -30.92 71.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.6 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.19 -31.78 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.789 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.409 ' NH2' ' CD2' ' A' ' 49' ' ' LEU . 56.1 mtm180 -64.53 -33.21 75.38 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.883 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.531 ' CD1' ' N ' ' A' ' 31' ' ' ILE . 1.6 mp -79.53 -20.7 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.825 -0.435 . . . . 1.0 109.825 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.402 ' O ' ' OG ' ' A' ' 36' ' ' SER . 21.3 ttt -71.08 -39.9 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.641 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.99 -24.93 58.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.45 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.2 tp -71.96 -60.22 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.438 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -54.46 -19.77 6.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.754 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 32' ' ' MET . 14.7 m -68.15 -50.48 54.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.943 0.401 . . . . 1.0 110.55 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.43 ' O ' ' OG ' ' A' ' 38' ' ' SER . 88.7 t -64.35 -40.62 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.748 -179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 37' ' ' VAL . 27.5 m -172.79 148.95 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.793 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -56.48 165.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.174 178.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.41 150.4 23.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 1.0 110.962 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.458 ' H ' ' CD2' ' A' ' 44' ' ' HIS . 61.7 m -93.07 156.78 16.66 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.868 177.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -45.92 -50.38 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.864 0.364 . . . . 1.0 111.199 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.95 -27.01 59.04 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 116.183 -0.462 . . . . 1.0 112.059 -176.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.458 ' CD2' ' H ' ' A' ' 41' ' ' SER . 3.7 m-70 -70.28 -29.0 65.66 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.787 -0.365 . . . . 1.0 111.309 -177.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.479 ' CD1' ' N ' ' A' ' 45' ' ' ILE . 1.9 mp -66.06 -31.53 54.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.319 -178.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 50' ' ' ASN . 91.1 p -47.46 -38.0 12.82 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.863 -0.335 . . . . 1.0 111.073 -178.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -60.06 -21.26 61.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.834 0.349 . . . . 1.0 110.851 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.463 ' N ' ' CD ' ' A' ' 48' ' ' GLN . 2.8 mp0 -95.74 -57.13 2.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.359 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.409 ' CD2' ' NH2' ' A' ' 30' ' ' ARG . 13.9 mt -88.5 -46.69 8.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.587 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 46' ' ' SER . 17.3 t30 63.86 23.56 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.682 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.2 mt -99.4 -153.74 0.45 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.269 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.0 m -73.89 132.92 42.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -65.38 -35.98 82.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.627 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -57.81 -22.36 47.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.595 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -68.06 -41.55 81.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.498 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.57 -40.43 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.615 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 m -60.63 -57.78 11.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.427 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -54.13 -41.4 68.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.536 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -67.87 -54.58 17.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.7 tp -57.27 -30.4 64.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.335 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -59.87 -34.77 73.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.255 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.88 -57.37 9.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.072 179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.0 mt -53.61 -40.22 65.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.523 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -53.19 -31.99 45.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.46 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 67' ' ' HIS . 15.9 t -74.57 -37.06 63.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.427 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.531 ' O ' ' CG ' ' A' ' 67' ' ' HIS . 2.5 t -77.03 15.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.48 . . . . 1.0 110.128 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 66' ' ' VAL . 14.0 p-80 42.84 15.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.68 -0.691 . . . . 1.0 111.65 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -71.08 -12.71 61.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.087 0.47 . . . . 1.0 109.832 -179.62 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.8 m -140.41 161.52 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.715 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -144.97 156.27 43.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.02 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -147.39 175.36 10.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.832 0.349 . . . . 1.0 110.345 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -142.01 155.36 45.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.319 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -87.79 129.93 35.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.62 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 77' ' ' SER . 63.0 mt-30 -147.09 137.81 23.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.154 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 76' ' ' GLN . . . -48.54 141.2 9.69 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.61 -0.996 . . . . 1.0 110.61 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 8.6 tt0 95.71 -54.83 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.5 0.72 . . . . 1.0 110.713 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 74' ' ' GLN . 53.3 m -162.4 -179.07 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.173 0.511 . . . . 1.0 111.476 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.502 ' O ' ' CE1' ' A' ' 80' ' ' TYR . 8.8 ttt -108.54 111.41 23.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.159 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.414 HD13 HG22 ' A' ' 79' ' ' ILE . 13.4 mm -81.47 133.7 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.084 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.502 ' CE1' ' O ' ' A' ' 78' ' ' MET . 48.6 m-85 -110.88 143.19 41.88 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.002 -0.545 . . . . 1.0 109.901 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.514 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 26.5 t -157.33 -173.83 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.869 0.366 . . . . 1.0 110.81 -179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.514 ' N ' ' OG ' ' A' ' 81' ' ' SER . 34.0 mt -75.18 170.42 16.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.63 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -78.76 -55.36 5.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.347 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.527 ' OD2' ' ND1' ' A' ' 86' ' ' HIS . 6.3 p-10 -158.25 -71.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.544 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.5 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 19.4 tt -167.81 -27.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.966 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.527 ' ND1' ' OD2' ' A' ' 84' ' ' ASP . 35.4 m170 -49.84 -28.37 6.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.85 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.0 m -75.17 -39.55 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.74 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.86 -14.93 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.772 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 m -77.5 -63.3 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.852 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.6 tpp -51.71 -33.46 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.941 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.8 tp -59.49 -59.18 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.499 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 94' ' ' ALA . 66.5 mttm -61.75 -61.28 2.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.139 -178.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -40.41 -24.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.647 -177.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -75.37 -64.55 1.04 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.883 0.373 . . . . 1.0 110.912 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.5 mm -55.77 -26.88 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.947 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' HIS . 43.4 m80 -79.39 -35.92 40.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.118 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -52.81 -62.1 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.618 -0.433 . . . . 1.0 110.568 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.88 -37.82 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.158 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -158.82 84.54 0.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.618 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 96' ' ' HIS . 1.6 p-80 -79.44 153.38 76.34 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.959 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' GLU . 94.7 Cg_endo -75.46 140.29 24.08 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 121.999 1.799 . . . . 1.0 111.841 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -49.49 92.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.742 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 101' ' ' PRO . 39.8 tt0 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.963 -1.018 . . . . 1.0 110.678 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' B' ' 11' ' ' ASP . 40.8 m-20 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 68.8 p -42.87 -18.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.024 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' B' ' 9' ' ' ASN . 45.8 m-20 -78.65 -63.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.465 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 71.5 p -57.15 -18.03 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.606 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 16.6 tp -68.83 -58.34 4.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.289 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -52.96 -20.43 3.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.838 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -74.23 -35.81 63.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.991 0.424 . . . . 1.0 109.962 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 91.9 t -65.34 -18.94 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.731 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.9 m -91.24 -29.78 17.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.691 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -77.74 -13.35 59.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.17 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 10.5 tt -70.67 -39.74 76.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.684 -0.407 . . . . 1.0 110.347 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -75.59 -60.75 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.664 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -47.52 -37.63 12.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.974 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -22.29 62.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.754 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' B' ' 25' ' ' ASP . 6.6 tp -84.9 -6.97 59.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.261 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.93 82.31 0.01 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' B' ' 23' ' ' LEU . 26.7 t0 -171.87 101.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.734 0.302 . . . . 1.0 110.312 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -46.44 -67.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.196 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -41.36 -32.36 0.3 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.676 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -72.58 -31.3 65.12 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.893 -0.323 . . . . 1.0 111.255 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 46.4 mt -66.33 -32.24 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.878 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -73.1 -31.59 64.42 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.837 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 72.8 mt -76.33 -40.59 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.735 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 70.6 mmm -67.22 -18.09 65.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.642 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -76.07 -70.26 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.995 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 pp -52.31 -25.7 10.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.089 -178.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.98 -43.76 52.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.723 -0.473 . . . . 1.0 109.723 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 46.2 p -48.32 -43.07 32.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.337 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 25.3 t -54.0 -64.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.325 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 23.5 p -148.73 173.4 13.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.534 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -76.12 168.04 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.375 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.13 154.75 29.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.47 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 28.0 t -89.15 161.88 16.24 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.094 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 77.4 t -57.63 -57.32 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.87 -0.332 . . . . 1.0 110.393 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.41 -23.64 60.51 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 120.877 -0.677 . . . . 1.0 111.784 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -75.83 -30.99 59.18 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.879 0.326 . . . . 1.0 111.879 -176.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 7.9 tt -58.7 -18.65 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.541 -0.464 . . . . 1.0 110.067 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.527 ' O ' ' N ' ' B' ' 50' ' ' ASN . 79.2 p -58.8 -41.55 87.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.537 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -51.71 -27.14 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.187 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -87.32 -51.95 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.524 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' B' ' 51' ' ' LEU . 28.0 mt -133.47 62.69 1.65 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.189 -0.46 . . . . 1.0 109.933 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 46' ' ' SER . 46.0 t30 -50.38 84.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.311 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' B' ' 49' ' ' LEU . 32.2 mt -135.86 -155.17 0.61 Allowed 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.183 -0.673 . . . . 1.0 109.183 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.8 p -63.79 127.77 32.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.787 0.327 . . . . 1.0 110.291 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.486 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 22.6 mp0 -69.51 -55.71 9.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.895 -178.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.0 p -43.49 -24.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.006 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.11 -42.69 98.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.616 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 15.3 t -75.33 -34.74 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.692 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 27.7 t -56.49 -37.97 71.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.878 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -79.61 -63.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.552 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -46.77 -39.69 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.874 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.04 -34.9 79.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.451 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -61.74 -28.85 69.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.885 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 24.2 tp -64.78 -47.41 78.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.302 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.466 ' CD1' ' N ' ' B' ' 63' ' ' LEU . 9.1 mp -60.28 -35.33 75.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.205 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -77.89 -10.23 59.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.537 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.4 t -66.47 -60.94 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 1.0 111.595 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 57.4 t -66.45 -72.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.679 -0.409 . . . . 1.0 111.398 -175.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' B' ' 67' ' ' HIS . 5.5 t60 -176.6 8.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.863 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 63' ' ' LEU . 9.5 mp -97.96 141.84 30.43 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.85 -0.426 . . . . 1.0 109.85 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.427 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 7.5 t 65.7 151.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 1.0 110.609 -177.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -149.73 175.33 11.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.767 -0.651 . . . . 1.0 109.941 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -152.07 116.82 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.023 0.44 . . . . 1.0 110.704 -179.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -112.51 123.8 51.09 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.943 -0.571 . . . . 1.0 109.821 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -59.6 133.47 56.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.448 0.642 . . . . 1.0 111.416 -173.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -153.81 138.73 17.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.987 -1.006 . . . . 1.0 110.148 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.27 -141.25 41.3 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -100.6 23.23 10.66 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.584 0.23 . . . . 1.0 110.925 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 50.2 p -152.08 169.68 21.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.914 0.388 . . . . 1.0 110.957 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 60.5 mtp -103.64 103.43 13.36 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.34 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.544 ' CD1' ' N ' ' B' ' 79' ' ' ILE . 1.5 mp -78.4 131.28 34.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 1.0 109.862 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -106.81 140.57 39.43 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.31 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -148.8 174.47 12.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.582 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.87 179.79 2.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.94 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' B' ' 67' ' ' HIS . 1.2 m-20 -81.48 -50.32 9.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.547 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -158.08 -76.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.701 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 21.2 pt -157.26 -15.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.935 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -57.68 -77.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.429 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.5 m -44.83 -27.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.611 -174.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.93 -50.79 63.14 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.753 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 77.6 m -65.54 -45.04 84.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.994 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 58.4 mtt -41.35 -55.88 2.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.377 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 34.2 mt -53.2 -57.47 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.726 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.404 ' NZ ' ' CB ' ' B' ' 92' ' ' LYS . 7.3 mtmp? -67.91 -14.06 62.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.194 -178.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -83.83 -25.56 30.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.546 -0.297 . . . . 1.0 110.84 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.49 -66.28 0.68 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.12 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 12.9 pt -58.58 -19.41 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.795 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -69.93 -41.28 74.81 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.336 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -50.84 -49.7 58.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.44 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.72 -63.02 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.53 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.67 ' ND2' ' H ' ' B' ' 100' ' ' HIS . 4.4 t-20 -63.76 177.79 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.569 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.67 ' H ' ' ND2' ' B' ' 99' ' ' ASN . 19.1 m-70 -155.63 151.37 22.06 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.139 -0.482 . . . . 1.0 109.749 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.83 -48.69 0.12 Allowed 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 121.939 1.759 . . . . 1.0 112.224 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -159.61 159.58 33.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.781 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.673 179.79 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.9 p30 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.454 -0.572 . . . . 1.0 109.454 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.5 p -76.81 -18.68 58.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.566 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.6 p30 -67.59 -23.22 65.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.68 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.7 p -58.62 -40.86 84.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.789 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -49.54 31.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 1.0 109.978 -179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -64.75 -16.67 63.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.561 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -81.71 -70.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.643 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.514 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 27.5 m -40.47 -30.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.447 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -65.63 -50.89 63.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.983 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -59.62 -25.52 64.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.147 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.3 mm -67.94 -63.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.982 -0.287 . . . . 1.0 110.971 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CE2' ' O ' ' A' ' 16' ' ' VAL . 9.1 m-85 -49.74 -58.27 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.672 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -43.13 -41.43 3.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.205 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.42 -25.54 65.97 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.623 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 20' ' ' PHE . 6.0 tp -78.9 -4.44 49.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.448 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.65 85.1 0.2 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.339 -0.704 . . . . 1.0 111.339 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 10.5 t70 -173.59 150.78 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.712 0.291 . . . . 1.0 110.315 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -88.8 -71.47 0.59 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.064 0.459 . . . . 1.0 111.208 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.585 HD21 ' N ' ' A' ' 27' ' ' ASN . 1.6 m120 -48.66 -18.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.646 -0.707 . . . . 1.0 111.44 -176.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.454 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 11.7 tpp85 -71.77 -34.07 69.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.862 0.363 . . . . 1.0 110.088 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.7 mm -67.72 -34.64 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.742 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 tpp85 -74.01 -34.52 64.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.508 -0.315 . . . . 1.0 110.82 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.6 mt -74.06 -24.53 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.517 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 tpt -81.15 -35.75 31.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.521 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -64.33 -32.42 74.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.598 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.3 tp -71.79 -63.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.543 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.1 mt -45.84 -25.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.795 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 t -65.75 -52.05 54.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.824 0.345 . . . . 1.0 110.379 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.58 -59.68 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.528 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.8 m -151.47 136.83 17.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.889 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 10.7 pm0 -75.18 156.52 35.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.859 -0.609 . . . . 1.0 109.997 178.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.31 -177.58 6.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.913 0.387 . . . . 1.0 110.783 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.2 p -87.15 150.99 23.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.389 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' A' ' 43' ' ' GLY . 12.9 p -49.56 -44.65 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.007 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.402 ' N ' ' CG1' ' A' ' 42' ' ' VAL . . . -60.44 -18.97 52.44 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.289 -0.724 . . . . 1.0 111.289 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -77.0 -20.3 56.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.785 0.326 . . . . 1.0 110.755 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.546 ' CD1' ' N ' ' A' ' 45' ' ' ILE . 1.5 mp -75.23 -29.5 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 1.0 109.938 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.583 ' HG ' ' HD1' ' A' ' 47' ' ' HIS . 55.1 p -44.32 -47.92 9.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 1.0 111.207 -178.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.6 ' H ' ' HD1' ' A' ' 47' ' ' HIS . 2.5 m80 -51.01 -14.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.13 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.425 ' H ' ' C ' ' A' ' 46' ' ' SER . 40.0 mt-30 -92.89 -57.27 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.565 179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.38 -46.51 7.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.741 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 46' ' ' SER . 56.8 t-20 56.88 82.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.203 -178.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tt -151.21 -69.65 0.17 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.399 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 m -157.78 127.59 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.055 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -67.35 -26.53 66.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.521 -0.308 . . . . 1.0 111.035 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -81.59 -30.41 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.89 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.35 -44.68 67.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.968 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 m -71.88 -33.39 47.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.528 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.9 m -62.99 -54.19 42.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.179 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -43.83 -39.09 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.824 -0.625 . . . . 1.0 111.014 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -59.18 -55.83 29.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.495 -0.32 . . . . 1.0 111.441 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.1 mp -52.23 -20.06 2.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.89 -177.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -72.46 -39.96 67.37 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.524 -0.47 . . . . 1.0 110.316 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 62' ' ' LEU . 3.2 mm? -67.11 -37.66 84.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.057 -0.349 . . . . 1.0 110.057 178.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 68' ' ' LEU . 13.9 mt -73.7 -30.86 63.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.668 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -75.29 -12.39 60.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.281 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.7 m -85.26 -34.74 21.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.079 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.7 t -72.32 -72.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.86 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -176.5 -4.93 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.242 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 63' ' ' LEU . 21.3 mt -110.11 159.12 17.61 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.74 0.305 . . . . 1.0 110.537 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 t 67.49 128.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.679 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -149.36 161.78 41.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.684 -0.689 . . . . 1.0 109.854 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -155.96 160.41 40.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.924 0.392 . . . . 1.0 110.876 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -141.56 127.89 19.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.841 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -60.66 152.04 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.268 0.556 . . . . 1.0 111.29 -175.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -152.9 108.75 3.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.397 -0.82 . . . . 1.0 110.548 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.468 ' C ' ' NE2' ' A' ' 76' ' ' GLN . . . 71.42 -105.29 1.62 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.084 -0.806 . . . . 1.0 111.084 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.468 ' NE2' ' C ' ' A' ' 75' ' ' GLY . 9.0 mp0 -126.41 18.23 7.57 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.822 0.344 . . . . 1.0 110.408 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.2 m -147.27 162.86 38.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.263 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -114.55 138.01 51.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.468 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.6 mt -110.52 138.18 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.554 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -109.33 140.94 42.37 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.29 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 82' ' ' LEU . 87.1 p -158.25 -172.63 3.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.81 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 81' ' ' SER . 24.7 mt -59.01 -150.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.753 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -155.17 -26.46 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.837 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 9.2 t70 -164.53 158.12 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.482 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.483 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 29.6 pt -79.02 12.05 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.783 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.506 ' C ' ' H ' ' A' ' 88' ' ' ALA . 30.9 m80 -77.3 -75.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.988 0.423 . . . . 1.0 110.647 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.3 m -48.22 -10.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.539 . . . . 1.0 111.371 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 86' ' ' HIS . . . -61.56 -62.06 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 1.0 110.737 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.0 t -66.83 -29.21 69.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.587 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.2 ttt -57.27 -40.79 78.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.461 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -61.16 -47.86 84.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.186 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -62.83 -57.35 11.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.535 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -40.67 -34.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.586 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.47 -46.79 75.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.869 0.366 . . . . 1.0 110.445 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.8 mm -70.72 -14.65 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.288 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -75.87 -58.96 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.758 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -62.29 -21.89 65.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 1.0 110.262 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.56 94.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.41 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -69.66 -120.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.199 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.3 m80 51.66 62.37 11.06 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.674 0.273 . . . . 1.0 110.686 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 102' ' ' LYS . 87.1 Cg_endo -77.49 -43.92 0.21 Allowed 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.537 2.158 . . . . 1.0 112.055 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 101' ' ' PRO . 61.8 mmtt 52.38 103.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.542 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.987 -1.006 . . . . 1.0 110.58 179.942 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 32.7 m120 . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.337 -0.616 . . . . 1.0 109.337 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.6 m -86.38 -39.2 16.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.525 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -64.72 -35.79 82.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.495 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.7 m -71.79 -32.44 67.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.438 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.48 -20.66 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.103 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -83.25 -49.45 9.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.506 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.564 HH22 ' HD1' ' B' ' 67' ' ' HIS . 45.8 ttt85 -54.17 -55.4 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.259 -178.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.5 m -41.37 -28.55 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.365 -178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.5 p -76.58 -41.14 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.663 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' B' ' 15' ' ' ARG . 29.8 mt-10 -62.18 -22.08 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.987 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 16.1 mt -67.72 -69.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.677 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -43.73 -60.54 1.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.269 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -43.54 -36.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.404 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.93 -25.18 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.506 -0.315 . . . . 1.0 111.428 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' B' ' 23' ' ' LEU . 9.4 mp -78.47 0.75 24.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.086 -0.246 . . . . 1.0 110.668 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' B' ' 25' ' ' ASP . . . -64.71 -162.27 0.64 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' B' ' 24' ' ' GLY . 1.6 m-20 54.23 107.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 1.0 110.669 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -57.39 -18.73 19.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.868 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -82.13 -42.37 19.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.281 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -72.59 -34.21 67.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.294 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 tt -73.01 -32.36 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.287 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -67.6 -30.23 69.77 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.647 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -70.33 -51.23 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.433 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 31.5 ttm -46.54 -36.56 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.661 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -73.15 -30.53 63.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.997 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 25.4 tp -73.09 -44.95 59.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.528 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 mp -74.17 -18.53 60.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.128 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -63.81 -54.96 26.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.638 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.98 -37.3 79.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.736 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 55.5 m -165.53 130.62 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.8 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 1.4 pm0 -66.97 155.0 39.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.705 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.5 168.47 27.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.706 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.496 ' HG ' ' ND1' ' B' ' 44' ' ' HIS . 28.3 p -85.35 156.51 20.86 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.697 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 35.3 m -48.17 -43.12 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.348 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -67.44 -38.37 90.91 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 121.132 -0.556 . . . . 1.0 112.019 -176.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.496 ' ND1' ' HG ' ' B' ' 41' ' ' SER . 31.4 m80 -67.84 -33.85 75.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 1.0 111.405 -176.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 32.1 pt -80.79 -13.65 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.695 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.526 ' C ' ' H ' ' B' ' 48' ' ' GLN . 16.2 m -50.23 -28.98 8.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.591 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.22 -11.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.25 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.526 ' H ' ' C ' ' B' ' 46' ' ' SER . 14.4 mm100 -94.12 -52.45 4.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.027 177.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' B' ' 49' ' ' LEU . 9.8 mp -86.87 -64.89 1.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.236 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 66.38 25.83 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.991 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -91.31 -70.44 0.68 Allowed 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.6 m -158.87 132.0 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 1.0 109.937 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -54.11 -21.71 9.26 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.679 -0.408 . . . . 1.0 110.646 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 85.9 p -81.43 -24.83 36.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.481 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -77.5 -44.37 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.806 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.16 -38.51 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.647 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 66.6 m -58.62 -66.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.389 . . . . 1.0 110.495 179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -40.59 -30.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 1.0 111.244 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -70.97 -55.39 8.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.744 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 28.3 mt -54.49 -29.55 50.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.478 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -67.41 -35.13 78.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.795 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -32.96 74.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.1 0.476 . . . . 1.0 110.039 -179.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.96 -26.04 63.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.1 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -69.89 -27.89 65.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.493 -0.321 . . . . 1.0 110.964 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.425 ' C ' ' H ' ' B' ' 67' ' ' HIS . 5.6 m -66.89 -41.18 87.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.179 -178.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.468 ' C ' ' ND1' ' B' ' 67' ' ' HIS . 14.5 m -75.98 15.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.331 -177.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.564 ' HD1' HH22 ' B' ' 15' ' ' ARG . 8.2 m80 71.09 10.39 6.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.504 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 36.1 mt -109.4 153.71 23.6 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 110.035 -0.358 . . . . 1.0 110.035 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.8 t 62.78 141.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.761 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -164.08 135.05 4.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.559 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.94 171.74 7.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.372 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -148.29 162.71 38.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.479 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -89.7 145.17 25.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.681 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -148.43 106.19 3.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.382 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.23 -95.91 0.04 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.472 ' CD ' ' N ' ' B' ' 76' ' ' GLN . 2.2 pm0 -133.88 12.69 4.0 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.794 0.331 . . . . 1.0 110.246 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -130.02 135.76 48.64 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.458 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' B' ' 78' ' ' MET . 4.4 mpp? -103.89 145.68 29.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.881 -0.599 . . . . 1.0 110.19 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 pt -138.53 158.24 30.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -110.89 142.95 42.27 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.466 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' B' ' 82' ' ' LEU . 8.7 t -147.95 175.44 10.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.01 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.436 ' N ' ' OG ' ' B' ' 81' ' ' SER . 3.4 pp -162.75 -22.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.916 -178.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 20.2 p-10 -58.78 99.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.177 -177.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -110.05 17.65 20.83 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.529 ' O ' ' CG ' ' B' ' 86' ' ' HIS . 10.0 mt 63.88 54.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.134 -177.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' B' ' 85' ' ' ILE . 20.3 m170 -164.95 -27.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 92.9 t -86.0 -37.14 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.827 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.68 -42.05 87.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.857 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' THR . . . . . 0.452 ' O ' ' N ' ' B' ' 93' ' ' GLN . 42.2 p -69.0 -47.81 64.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.758 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 4.3 tpt -45.04 -51.94 9.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.873 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 tp -68.03 -42.29 80.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.62 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -72.66 -14.22 61.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.957 -178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' B' ' 89' ' ' THR . 59.8 tp60 -81.5 -29.8 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 1.0 110.491 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.36 -44.65 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.452 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.5 -21.4 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.394 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -46.0 63.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.756 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -78.63 -15.27 58.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.753 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.6 -52.06 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.747 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -75.54 -45.84 35.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.936 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' B' ' 101' ' ' PRO . 60.6 t60 47.42 66.79 5.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.348 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' B' ' 100' ' ' HIS . 88.0 Cg_exo -45.67 179.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.845 2.364 . . . . 1.0 112.484 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -74.88 -49.97 18.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.551 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.016 -0.992 . . . . 1.0 110.456 179.554 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.369 -0.604 . . . . 1.0 109.369 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.2 p -80.56 -23.56 39.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.76 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -80.81 -20.12 43.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 1.0 110.529 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 14' ' ' GLU . 53.1 p -74.55 -70.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.651 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.432 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 10.0 mp -47.2 -20.59 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.381 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 12' ' ' THR . 41.8 mm-40 -79.28 -45.65 19.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.732 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -83.38 -26.99 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.214 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.9 t -76.14 -40.5 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.624 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.6 m -68.06 -19.32 64.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.977 0.418 . . . . 1.0 110.427 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' A' ' 20' ' ' PHE . 30.6 tt0 -74.49 -69.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.339 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.4 pt -35.81 -25.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.987 -0.551 . . . . 1.0 112.248 -174.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' GLU . 51.9 m-85 -76.11 -70.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.515 -0.474 . . . . 1.0 109.885 177.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -51.35 -23.58 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.833 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.58 -19.03 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.026 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 3.1 mm? -89.43 12.17 17.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.347 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.81 -79.76 0.07 OUTLIER Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.03 135.42 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 1.0 110.807 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -72.94 -30.35 63.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.764 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -49.62 -44.83 47.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.693 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -66.09 -38.54 88.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 1.0 111.142 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mt -59.51 -28.81 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.951 -178.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -69.17 -35.11 75.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.743 -0.208 . . . . 1.0 111.274 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.538 ' CD1' ' N ' ' A' ' 31' ' ' ILE . 1.4 mp -81.15 -16.35 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.0 tpt -81.82 -39.86 23.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 1.0 110.62 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' OG ' ' A' ' 36' ' ' SER . 14.3 pt-20 -80.68 -41.88 22.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.014 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.86 -67.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.447 -178.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 38' ' ' SER . 8.2 tp -46.84 -48.9 20.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.861 -177.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 33' ' ' GLU . 30.3 p -43.06 -40.18 3.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.032 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.19 -34.87 73.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.564 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 35' ' ' LEU . 40.0 m -167.23 137.58 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.533 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.93 158.42 19.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.143 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.33 164.92 37.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.985 0.421 . . . . 1.0 111.412 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.8 p -108.52 163.52 13.16 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.768 -0.651 . . . . 1.0 109.814 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.4 t -46.53 -46.3 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.69 0.281 . . . . 1.0 111.226 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.02 -53.46 40.04 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 121.385 -0.436 . . . . 1.0 112.042 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -60.8 -31.59 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.978 0.362 . . . . 1.0 111.978 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 48' ' ' GLN . 54.6 mt -71.93 -31.09 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.319 -0.552 . . . . 1.0 110.481 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -43.8 -19.58 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.84 0.353 . . . . 1.0 110.856 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' ILE . 11.9 m-70 -91.21 -30.2 16.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.734 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 45' ' ' ILE . 20.1 mt-30 -92.33 -58.36 2.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.022 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.1 tp -173.83 75.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.546 -0.297 . . . . 1.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 52' ' ' SER . 7.8 t30 -151.77 -15.9 0.19 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.792 -0.447 . . . . 1.0 109.792 177.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.499 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 3.1 pp -32.04 -28.62 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.822 -0.626 . . . . 1.0 111.924 -177.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 50' ' ' ASN . 31.1 t -95.44 72.38 3.21 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.991 -0.744 . . . . 1.0 108.991 173.189 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.533 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 18.3 mp0 -36.81 -63.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.869 -0.605 . . . . 1.0 112.01 -175.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.3 t -42.18 -18.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.423 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 53' ' ' GLN . 8.8 t-20 -76.54 -43.51 38.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.097 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.431 ' CG2' ' OD1' ' A' ' 50' ' ' ASN . 83.9 t -82.05 -41.81 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.783 0.325 . . . . 1.0 110.952 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.8 t -48.89 -48.53 42.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.013 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -74.48 -25.93 59.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.619 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -68.93 -60.94 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 1.0 111.191 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.57 -23.49 40.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.475 -0.33 . . . . 1.0 111.503 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -66.11 -42.38 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.169 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.37 -58.3 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.553 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.9 mt -45.69 -39.4 7.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.747 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -57.33 -42.23 81.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.826 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.514 ' C ' ' H ' ' A' ' 67' ' ' HIS . 41.0 t -64.91 -39.07 92.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.786 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -72.59 12.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.294 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.514 ' H ' ' C ' ' A' ' 65' ' ' SER . 2.2 t60 65.52 15.19 9.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.965 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' A' ' 69' ' ' VAL . 43.1 mt -96.64 139.54 32.57 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.687 -0.486 . . . . 1.0 109.687 176.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' A' ' 68' ' ' LEU . 20.7 m 46.49 177.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.392 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.555 ' HZ2' ' CB ' ' A' ' 70' ' ' LYS . 7.8 ttpm? -165.25 154.93 12.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.687 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.4 153.17 20.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.079 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -140.26 153.83 46.64 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.881 0.372 . . . . 1.0 110.595 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -85.27 119.87 26.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.172 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -152.8 115.85 4.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.92 0.39 . . . . 1.0 110.76 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.532 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 49.63 56.97 10.11 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.169 -0.772 . . . . 1.0 111.169 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 50.6 8.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.598 0.237 . . . . 1.0 111.23 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.532 ' H ' ' C ' ' A' ' 75' ' ' GLY . 14.3 m -123.47 144.17 49.69 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.983 -0.377 . . . . 1.0 109.983 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.4 ptt? -109.57 128.35 55.14 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.953 0.406 . . . . 1.0 110.739 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.6 pt -133.31 161.88 40.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.446 -0.575 . . . . 1.0 109.446 178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -136.28 172.75 12.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.418 0.627 . . . . 1.0 111.168 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 44.7 t -170.01 -154.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.065 -0.971 . . . . 1.0 109.378 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.438 ' N ' ' OG ' ' A' ' 81' ' ' SER . 12.0 mt -86.89 -179.05 6.45 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.086 -0.339 . . . . 1.0 110.086 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -170.21 -8.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.731 -0.388 . . . . 1.0 111.238 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -116.3 -20.01 9.94 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.822 0.344 . . . . 1.0 110.414 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.524 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 27.4 mt 47.27 73.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.755 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 29.0 m80 -161.05 -54.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.318 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.5 m -46.19 -12.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.31 -178.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.515 ' H ' ' C ' ' A' ' 86' ' ' HIS . . . -62.85 -60.05 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.838 0.351 . . . . 1.0 110.657 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.7 p -62.32 -30.05 70.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.729 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 32.8 ttm -49.57 -47.36 49.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.676 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.4 mt -64.01 -41.68 97.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.717 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.79 -70.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 1.0 111.025 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -42.5 -26.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.315 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.03 -53.19 57.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 1.0 110.71 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.0 mm -68.8 -17.44 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.713 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.564 ' ND1' ' NE2' ' B' ' 86' ' ' HIS . 66.6 t-80 -63.47 -40.56 97.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.592 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -70.65 -63.15 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.309 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.3 -28.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.95 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -167.96 130.82 1.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.688 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -80.49 149.83 69.17 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 1.0 109.989 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.46 -45.97 0.23 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 121.889 1.726 . . . . 1.0 112.0 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.7 mttp -58.86 -90.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.621 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.951 -1.024 . . . . 1.0 110.659 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.2 t -86.12 -28.13 24.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.534 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 34.1 p-10 -73.52 -14.68 61.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.351 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.6 p -76.14 -59.34 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.482 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' B' ' 13' ' ' LEU . 9.3 mp -47.0 -32.9 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.096 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -64.39 -56.19 15.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -68.08 -40.97 82.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.801 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.6 t -58.8 -17.11 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.619 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 96.1 m -85.96 -31.97 21.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 1.0 110.147 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -70.9 -20.79 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.65 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.433 ' CG2' ' N ' ' B' ' 20' ' ' PHE . 0.2 OUTLIER -56.32 -45.29 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.433 ' N ' ' CG2' ' B' ' 19' ' ' ILE . 29.0 m-85 -67.94 -55.86 11.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.693 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -51.2 -21.78 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.531 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.27 -36.59 73.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.921 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.47 ' CD1' ' N ' ' B' ' 23' ' ' LEU . 9.0 mp -63.97 -7.92 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 1.0 110.129 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 38.46 -127.03 1.75 Allowed Glycine 0 CA--C 1.527 0.788 0 CA-C-N 115.86 -0.609 . . . . 1.0 111.864 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -75.82 173.97 10.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.852 0.358 . . . . 1.0 110.84 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.598 ' CE2' ' ND2' ' B' ' 27' ' ' ASN . 19.4 p90 -68.99 -45.9 69.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.083 -178.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.598 ' ND2' ' CE2' ' B' ' 26' ' ' TYR . 67.7 m-80 -45.27 -33.84 2.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.909 0.385 . . . . 1.0 110.522 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.561 HH12 ' NE2' ' B' ' 59' ' ' GLN . 15.5 tpp180 -64.34 -34.16 77.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.251 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' B' ' 26' ' ' TYR . 43.9 mt -70.24 -28.81 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.779 -0.646 . . . . 1.0 111.095 -177.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 tpt85 -66.2 -32.11 73.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.398 . . . . 1.0 110.119 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 37.2 mt -63.14 -42.38 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.176 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 42.3 mtt -64.65 -44.97 88.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.687 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -54.7 -30.69 56.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.395 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.404 ' C ' ' H ' ' B' ' 36' ' ' SER . 0.3 OUTLIER -76.18 -62.03 1.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.178 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 34.2 mt -60.75 -6.65 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.604 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.404 ' H ' ' C ' ' B' ' 34' ' ' LEU . 5.8 t -81.63 -43.49 18.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.392 179.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 88.1 t -69.13 -24.39 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.638 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t 174.89 133.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.712 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.516 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 1.3 pm0 -51.79 164.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.746 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.61 154.92 29.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.619 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' B' ' 42' ' ' VAL . 33.4 t -85.35 -163.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.195 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.408 ' N ' ' OG ' ' B' ' 41' ' ' SER . 70.7 t -79.62 -66.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.378 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.11 -32.67 63.26 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.541 -0.624 . . . . 1.0 111.541 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.452 ' N ' ' HD1' ' B' ' 44' ' ' HIS . 1.7 m80 -58.47 -11.13 2.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.757 0.313 . . . . 1.0 110.712 -178.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' B' ' 48' ' ' GLN . 11.2 tt -78.05 -34.71 19.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.659 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.6 t -46.54 -32.71 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.71 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -84.56 -18.34 35.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.847 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' B' ' 45' ' ' ILE . 83.2 mt-30 -84.17 -57.42 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.1 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 21.8 mt -112.85 -27.89 7.95 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.93 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 t30 58.4 79.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 1.0 110.458 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 77.3 mt -140.54 -178.6 5.58 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.086 -0.507 . . . . 1.0 109.714 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 41.2 m -66.83 132.69 48.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.463 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -62.85 -40.18 96.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.075 -178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' B' ' 58' ' ' HIS . 36.8 m -52.29 -29.92 25.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.945 0.402 . . . . 1.0 110.408 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -73.56 -32.17 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.64 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.1 t -81.64 -49.4 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.282 -178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.7 p -57.89 -42.19 84.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 1.0 110.633 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' B' ' 54' ' ' SER . 2.1 m-70 -67.7 -42.47 81.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.104 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.561 ' NE2' HH12 ' B' ' 28' ' ' ARG . 38.7 mm-40 -64.63 -57.67 8.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 1.0 111.103 -178.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 38.4 mt -46.38 -24.52 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.76 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -72.93 -43.23 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 1.0 110.621 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 22.7 mt -59.5 -35.89 75.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.699 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.17 -23.84 62.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.77 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -65.3 -21.48 66.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.439 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.466 ' C ' ' H ' ' B' ' 67' ' ' HIS . 13.3 t -71.39 -59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.714 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 5.5 m -64.62 1.12 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.599 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.466 ' H ' ' C ' ' B' ' 65' ' ' SER . 21.2 m80 58.65 14.18 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.083 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -14.97 60.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.568 -0.531 . . . . 1.0 109.568 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 87.2 t -137.94 157.88 32.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.472 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -163.98 128.83 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.298 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.59 174.56 5.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.982 0.42 . . . . 1.0 110.621 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -149.54 168.16 24.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.104 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -75.68 135.05 40.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -149.35 78.95 1.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.322 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 59.12 52.27 54.35 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.104 -0.798 . . . . 1.0 111.104 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 73.72 -28.67 0.19 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.555 0.217 . . . . 1.0 110.983 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.492 ' H ' ' C ' ' B' ' 75' ' ' GLY . 8.8 t -81.06 128.13 33.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 1.0 110.637 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 39.1 tpp -83.29 107.11 15.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.524 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.8 tt -94.02 133.1 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.719 -179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -110.85 143.13 41.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.379 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 27.8 t -144.98 171.07 14.97 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.53 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.456 ' C ' ' H ' ' B' ' 84' ' ' ASP . 22.0 mt -68.6 -32.44 72.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.833 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 67.56 -3.89 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.815 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.456 ' H ' ' C ' ' B' ' 82' ' ' LEU . 8.4 m-20 -157.82 147.84 20.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.509 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 23.8 pt -97.76 -18.92 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.477 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.564 ' NE2' ' ND1' ' A' ' 96' ' ' HIS . 32.1 m80 -51.04 -16.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.8 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 35.8 m -90.81 -27.57 4.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.564 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.17 76.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.658 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 34.4 m -77.58 -41.4 38.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.726 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 25.7 ttt -60.61 -40.35 91.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.721 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -67.96 -38.4 82.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.328 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -78.08 -9.27 59.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.783 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -88.13 -26.32 22.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.59 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.47 -50.99 18.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.418 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.0 mm -58.95 -27.99 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.439 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -66.06 -57.4 7.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.679 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' B' ' 99' ' ' ASN . 13.6 t60 -54.0 -70.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.832 -178.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -36.15 -25.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.102 -0.499 . . . . 1.0 112.086 -177.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' B' ' 97' ' ' HIS . 5.2 p-10 -161.68 112.89 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.984 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.82 151.63 93.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.87 -9.37 25.58 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 121.86 1.707 . . . . 1.0 111.881 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -62.74 143.74 57.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.48 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.983 -1.008 . . . . 1.0 110.644 -179.901 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.2 m120 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 t -83.94 -21.59 31.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.641 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.3 -19.11 62.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.536 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 m -69.63 -70.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.74 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' CD1' ' H ' ' A' ' 13' ' ' LEU . 10.0 mp -43.64 -42.42 5.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.526 -179.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -52.01 -61.26 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.015 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' GLU . 52.2 mtp180 -55.31 -52.5 63.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.3 t -43.42 -23.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.008 -178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 15' ' ' ARG . 11.9 m -81.98 -40.75 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.498 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ARG . 33.9 tt0 -61.61 -19.45 62.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.831 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.9 mm -69.99 -36.21 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.78 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -71.45 -65.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.609 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -46.06 -23.28 0.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.59 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.58 -34.99 58.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.985 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.6 mt -76.08 3.51 10.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.825 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 25' ' ' ASP . . . -55.19 -172.86 0.09 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 24' ' ' GLY . 4.8 m-20 55.45 108.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.333 . . . . 1.0 110.754 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -59.4 -37.17 77.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.714 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -58.39 -33.87 70.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.731 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -67.89 -30.02 69.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.947 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.0 mt -74.83 -26.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.967 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -70.18 -30.86 68.1 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.506 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 34' ' ' LEU . 9.1 mm -63.22 -57.9 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.376 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 48.4 mtm -47.22 -37.66 10.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.525 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -59.66 -32.39 70.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.34 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -75.85 -52.36 10.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 1.0 109.95 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.9 mt -59.2 -15.75 16.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.483 178.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.5 t -75.39 -58.2 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.61 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.3 m -58.45 -35.27 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.652 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t 178.91 146.84 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 1.0 110.814 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.533 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.6 pm0 -49.73 175.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.637 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.1 144.91 19.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.7 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.1 m -87.89 -167.93 2.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.742 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.7 t -81.56 -63.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.883 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.426 ' O ' ' OG ' ' A' ' 46' ' ' SER . . . -66.27 -28.21 73.54 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 120.772 -0.728 . . . . 1.0 111.684 -176.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -74.7 -39.24 62.07 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.193 0.442 . . . . 1.0 112.193 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.8 tt -76.19 -13.81 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.649 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 43' ' ' GLY . 90.5 p -64.64 -63.97 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.37 . . . . 1.0 110.567 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -55.54 -22.94 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.482 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -67.5 -16.92 64.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.087 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.0 tp -168.04 49.45 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.395 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.507 ' CG ' ' H ' ' A' ' 51' ' ' LEU . 36.9 t-20 51.49 -139.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.747 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.507 ' H ' ' CG ' ' A' ' 50' ' ' ASN . 8.7 mp 52.27 179.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 76.7 p -151.36 175.71 11.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.811 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -41.22 -43.48 2.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.778 -0.646 . . . . 1.0 111.45 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.8 m -55.02 -52.29 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.083 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -78.99 -38.14 37.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.182 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.6 t -68.23 -43.91 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 1.0 110.846 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 56.5 m -59.46 -37.75 78.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.561 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' LYS . 31.4 t-80 -70.38 -69.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.225 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 60' ' ' LEU . 2.6 pt20 -44.05 -42.27 6.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.971 -178.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.404 ' N ' ' CG ' ' A' ' 59' ' ' GLN . 10.2 tp -53.7 -34.85 60.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 1.0 110.448 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' HIS . 50.7 tttp -60.64 -34.25 73.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.933 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 62' ' ' LEU . 3.3 mm? -69.06 -27.24 65.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.34 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.6 mt -79.69 -39.36 31.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.738 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.51 ' HZ2' ' H ' ' A' ' 71' ' ' ALA . 61.9 tttp -64.75 -20.01 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.609 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 83.0 p -74.12 -57.5 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.011 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.468 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 7.5 p -66.07 -5.35 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.65 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 65' ' ' SER . 4.8 m80 78.33 14.81 1.38 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.827 -0.624 . . . . 1.0 112.164 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.6 mt -80.06 -12.07 59.72 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.633 -0.506 . . . . 1.0 109.633 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 70' ' ' LYS . 93.1 t -139.85 159.51 26.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.876 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.414 ' N ' ' CG1' ' A' ' 69' ' ' VAL . 64.4 tttm -146.83 136.25 22.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.276 -179.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.51 ' H ' ' HZ2' ' A' ' 64' ' ' LYS . . . -102.38 142.85 32.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.455 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -148.92 163.07 38.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.13 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -89.3 131.63 35.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.265 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -140.76 78.86 1.67 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.066 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.34 -99.96 2.21 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.766 -0.934 . . . . 1.0 110.766 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -133.17 13.39 4.24 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.741 0.305 . . . . 1.0 110.419 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.2 p -128.25 135.29 49.46 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.471 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 78' ' ' MET . 1.7 mpt? -85.91 87.66 7.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.436 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.1 mt -91.34 148.32 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.427 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -137.6 173.94 11.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.281 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.3 t -172.17 -156.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.568 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -68.8 -160.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.629 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -154.07 -7.64 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.54 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.493 ' OD2' ' ND1' ' A' ' 86' ' ' HIS . 44.1 t0 -167.96 160.27 12.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.428 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.458 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 21.4 pt -81.7 -4.58 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.73 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.493 ' ND1' ' OD2' ' A' ' 84' ' ' ASP . 32.6 m170 -78.42 -24.75 46.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.58 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.74 -46.09 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.732 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.34 -64.13 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.86 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.1 p -44.97 -48.47 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.938 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.0 ttt -42.13 -48.98 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.243 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.2 mt -65.76 -37.87 87.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.978 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.525 ' O ' ' ND1' ' A' ' 96' ' ' HIS . 90.9 mttt -78.66 -12.72 60.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.189 -177.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -85.22 -20.99 29.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 1.0 110.517 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.64 -59.39 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.542 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.53 -25.37 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.796 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 92' ' ' LYS . 0.3 OUTLIER -68.62 -47.98 65.24 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.861 -0.336 . . . . 1.0 110.537 179.224 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -63.88 -14.05 50.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.797 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.94 -67.04 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.905 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.434 ' N ' HD21 ' A' ' 99' ' ' ASN . 1.6 m-80 -72.71 56.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.86 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.598 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 1.9 t-160 -79.76 -38.16 1.19 Allowed Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 100' ' ' HIS . 52.5 Cg_exo -53.4 -162.76 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.072 1.848 . . . . 1.0 112.335 -178.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.526 ' N ' ' CD ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -155.62 162.96 40.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.603 178.669 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.975 -1.012 . . . . 1.0 110.786 -179.466 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.365 -0.605 . . . . 1.0 109.365 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.1 p -56.08 -25.16 44.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.5 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -73.53 -53.51 10.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.747 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.482 ' HG1' ' H ' ' B' ' 13' ' ' LEU . 51.1 p -60.67 -50.89 71.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.518 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.482 ' H ' ' HG1' ' B' ' 12' ' ' THR . 36.6 tp -50.41 -29.33 9.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.532 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -61.03 -59.26 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.629 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -58.03 -42.27 84.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.745 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 84.2 t -53.63 -32.87 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.76 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -74.7 -39.65 61.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.676 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.88 -16.3 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.731 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 98.4 mt -69.39 -70.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.674 -0.411 . . . . 1.0 110.507 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -40.38 -63.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.466 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -44.45 -33.49 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.145 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.74 -29.64 69.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.342 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.529 ' N ' ' CD2' ' B' ' 23' ' ' LEU . 3.1 mm? -89.46 12.19 17.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.579 0.228 . . . . 1.0 110.506 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.19 -163.65 11.92 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 60.74 115.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 1.0 110.644 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -51.08 -57.96 7.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.855 -0.611 . . . . 1.0 111.196 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -46.31 -38.36 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.638 -177.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.538 HH12 ' CG ' ' B' ' 59' ' ' GLN . 80.0 mtt-85 -69.2 -43.25 74.53 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.972 -0.291 . . . . 1.0 111.363 -177.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 97.0 mt -51.67 -29.89 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.695 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -73.1 -33.65 65.7 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.925 -0.31 . . . . 1.0 110.896 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 55.6 mt -60.29 -42.08 89.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.505 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 13.5 tpt -71.08 -40.42 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 1.0 110.706 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.424 ' O ' ' OG ' ' B' ' 36' ' ' SER . 31.8 tt0 -53.9 -54.79 33.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.44 -178.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.24 -28.71 67.47 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.818 -0.353 . . . . 1.0 111.313 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 38.3 mt -64.61 -40.42 95.45 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.769 -0.456 . . . . 1.0 109.769 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' B' ' 33' ' ' GLU . 62.0 p -55.94 -43.14 77.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.501 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.8 t -67.08 -48.78 78.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.454 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 13.9 t -161.17 147.98 14.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.644 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -64.21 176.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.572 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.32 135.44 11.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.523 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.6 m -69.97 -168.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.384 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.54 ' CG1' ' H ' ' B' ' 43' ' ' GLY . 14.6 p -72.57 -60.41 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.616 -0.434 . . . . 1.0 110.759 -178.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.54 ' H ' ' CG1' ' B' ' 42' ' ' VAL . . . -75.14 -32.82 55.62 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.535 -0.626 . . . . 1.0 111.535 -178.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -49.35 -20.18 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 1.0 110.836 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 11.2 tt -74.86 -25.74 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.796 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.511 ' O ' ' N ' ' B' ' 50' ' ' ASN . 73.7 m -49.66 -59.11 4.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.009 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -43.82 -18.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.305 -178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' B' ' 46' ' ' SER . 8.5 tp-100 -92.79 -57.63 2.6 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.764 0.316 . . . . 1.0 110.597 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 17.6 mt -100.18 -46.48 5.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.348 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' B' ' 46' ' ' SER . 20.0 t-20 57.4 87.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.743 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 57.4 mt -134.4 -85.72 0.41 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.335 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 10.2 t -157.93 127.29 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -47.24 -36.42 8.97 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.823 -0.351 . . . . 1.0 110.7 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.9 p -62.23 -27.02 68.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.761 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.88 -40.12 63.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.859 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.96 -45.99 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.635 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.8 t -54.25 -36.25 63.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.23 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -79.42 -67.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.642 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . 0.538 ' CG ' HH12 ' B' ' 28' ' ' ARG . 28.9 tt0 -49.41 -27.38 4.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.432 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 37.1 tp -75.14 -41.18 58.9 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.636 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -63.46 -22.04 66.66 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.477 -0.489 . . . . 1.0 110.575 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 23.4 mt -71.55 -43.55 66.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.357 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.2 -30.83 68.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.455 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -66.07 -37.5 85.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.568 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 9.0 m -53.47 -40.88 65.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.475 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.1 t -77.32 -11.69 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.086 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 67.74 16.97 9.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.919 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 38.6 tp -63.19 -14.2 46.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.043 0.449 . . . . 1.0 110.272 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.3 m -146.02 172.51 3.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.554 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -151.92 120.99 6.67 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.18 163.34 12.29 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.014 0.435 . . . . 1.0 110.939 -177.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -140.72 156.6 46.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.643 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' B' ' 73' ' ' ARG . 0.8 OUTLIER -82.64 116.75 22.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.269 179.638 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -149.68 115.48 5.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 1.0 109.989 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.403 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 72.9 -169.18 52.94 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.222 -1.151 . . . . 1.0 110.222 -177.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -81.31 33.56 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.808 0.337 . . . . 1.0 110.612 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.403 ' H ' ' C ' ' B' ' 75' ' ' GLY . 84.5 p -151.06 166.35 31.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.035 0.445 . . . . 1.0 110.692 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 49.7 mtt -109.84 92.06 3.9 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.354 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -78.41 147.6 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.487 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.5 ' O ' ' CD1' ' B' ' 80' ' ' TYR . 47.5 p90 -150.56 128.47 11.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.439 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 46.0 p -123.38 -144.93 0.34 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.829 0.347 . . . . 1.0 110.271 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mt -74.38 163.42 27.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.709 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -79.24 -67.93 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.809 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -159.11 -179.02 7.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.729 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.525 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 13.5 pt -74.05 62.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.69 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' B' ' 85' ' ' ILE . 37.2 m80 -150.05 -24.65 0.26 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.519 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 34.3 m -76.33 -41.11 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.858 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.15 -22.84 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.951 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 32.6 p -72.65 -40.82 66.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.878 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 20.8 ttt -79.83 -29.22 40.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.967 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.82 -53.51 39.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.81 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.445 ' CG ' ' N ' ' B' ' 93' ' ' GLN . 17.7 ptmt -62.8 -52.59 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.832 -178.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.445 ' N ' ' CG ' ' B' ' 92' ' ' LYS . 79.8 mt-30 -45.99 -27.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.671 0.272 . . . . 1.0 110.865 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.27 -41.86 47.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 1.0 110.343 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 84.4 mt -72.73 -26.16 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.429 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -72.69 -25.29 61.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.381 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.448 ' C ' ' H ' ' B' ' 99' ' ' ASN . 19.3 t60 -83.8 -20.36 33.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.417 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.57 5.45 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.65 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' B' ' 97' ' ' HIS . 57.1 t30 -158.63 -59.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.259 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 83.3 t60 50.37 62.86 10.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.729 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.417 ' C ' ' N ' ' B' ' 103' ' ' GLU . 95.3 Cg_endo -75.59 70.09 5.8 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.378 2.052 . . . . 1.0 111.791 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -47.62 -17.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.763 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' B' ' 103' ' ' GLU . 29.5 mp0 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.596 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.2 p30 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.471 -0.566 . . . . 1.0 109.471 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.4 p -89.36 -22.03 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.54 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 12' ' ' THR . 8.2 p-10 -86.92 -64.34 1.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.569 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.509 ' H ' ' CG ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -52.46 -24.36 7.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.715 -179.522 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.7 tp -72.96 -53.54 10.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.194 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -62.62 -12.02 20.58 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.913 -0.315 . . . . 1.0 110.705 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -72.39 -60.58 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.752 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.4 m -50.27 -18.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.471 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 m -77.7 -35.56 51.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.279 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -64.3 -20.1 65.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.618 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.4 mt -63.54 -70.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.634 -0.426 . . . . 1.0 110.176 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' LEU . 98.1 m-85 -40.55 -58.11 1.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.258 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -44.35 -32.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.001 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.67 -30.43 67.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.924 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 23' ' ' LEU . 3.1 mm? -81.22 -5.45 57.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.291 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 26' ' ' TYR . . . -55.12 -46.7 77.37 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.231 -0.748 . . . . 1.0 111.231 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 25.4 p-10 -46.45 90.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.999 0.428 . . . . 1.0 110.681 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 24' ' ' GLY . 36.5 t80 -46.62 -67.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.382 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -40.24 -32.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.754 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' ILE . 1.0 OUTLIER -69.49 -51.44 35.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.413 . . . . 1.0 110.424 -178.224 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 76.0 mt -42.65 -35.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.395 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -69.99 -33.3 71.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 1.0 110.752 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 28' ' ' ARG . 62.5 mt -71.0 -30.45 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.242 178.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 38.1 ttp -63.18 -31.93 73.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.265 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -67.26 -31.23 71.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.359 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.9 tp -70.8 -58.98 3.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.306 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.2 mt -52.53 -24.35 7.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.874 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.5 t -64.85 -54.06 36.92 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.839 -0.344 . . . . 1.0 110.455 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.1 t -57.68 -37.6 60.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.528 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 t -177.55 146.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.631 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -53.01 160.52 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.229 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.04 149.89 23.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.903 0.382 . . . . 1.0 110.761 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.3 t -87.25 162.44 17.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.451 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.2 t -49.04 -49.67 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.092 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.72 -46.03 92.71 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.237 -0.745 . . . . 1.0 111.237 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -52.0 -30.11 23.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.557 0.217 . . . . 1.0 111.026 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.5 mm -65.96 -27.94 42.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 50' ' ' ASN . 17.8 m -53.34 -62.71 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.867 -178.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -55.95 -18.32 8.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.447 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -72.14 -23.22 61.27 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.792 -0.363 . . . . 1.0 111.21 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 tp -163.18 22.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.938 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 46' ' ' SER . 5.9 m-80 43.09 91.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.971 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 tp -152.96 170.11 21.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.154 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.1 t -83.02 150.94 26.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.501 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -73.05 -51.66 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.607 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.5 m -45.99 -36.03 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.692 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -68.57 -44.47 74.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.733 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.86 -37.96 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.611 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.9 p -63.28 -44.92 93.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.346 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -60.43 -52.05 66.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.596 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -51.74 -59.91 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.62 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.8 mt -44.28 -25.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.103 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -70.67 -40.89 72.71 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.721 -0.392 . . . . 1.0 110.559 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.455 ' CD1' ' N ' ' A' ' 62' ' ' LEU . 9.4 mp -62.03 -30.59 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.118 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 7.5 mp -78.98 -31.12 44.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.246 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -66.12 -21.64 66.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.374 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.498 ' C ' ' H ' ' A' ' 67' ' ' HIS . 44.2 m -73.83 -49.22 26.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.119 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.1 p -76.0 30.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.235 0.541 . . . . 1.0 110.62 -178.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.498 ' H ' ' C ' ' A' ' 65' ' ' SER . 23.8 m80 59.36 9.68 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.683 -0.69 . . . . 1.0 112.452 175.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.38 145.23 28.44 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.2 t 65.73 149.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.306 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -142.14 174.93 10.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.066 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -131.38 130.64 42.88 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.026 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -117.57 137.03 52.87 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.345 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -90.68 128.1 36.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.19 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -147.1 97.56 2.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.859 0.361 . . . . 1.0 110.19 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.94 -100.34 1.47 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.725 -0.95 . . . . 1.0 110.725 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -128.17 -25.48 2.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.795 0.331 . . . . 1.0 110.422 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.9 t -89.42 144.73 25.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.64 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 41.6 mtp -97.36 99.78 11.22 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.185 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.4 mm -79.31 132.19 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.89 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -110.7 142.92 41.97 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.365 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.3 p -153.83 -178.21 6.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.633 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.7 163.26 27.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.755 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -70.91 -60.47 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.658 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.508 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 18.0 t70 -162.02 -169.96 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.461 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.526 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 11.2 mm -73.48 70.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.607 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 25.0 m170 -154.28 -30.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.3 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 44.8 t -81.22 -34.29 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.72 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.48 -61.05 2.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.803 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -38.95 69.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.767 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 42.1 ttm -51.26 -46.11 62.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.574 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.1 tp -58.57 -42.73 88.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.283 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -67.77 -63.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.904 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -40.2 -31.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.705 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.46 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -69.95 -66.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 1.0 111.015 -178.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.492 ' CD1' ' N ' ' A' ' 95' ' ' ILE . 1.6 mp -59.94 -5.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.794 -0.447 . . . . 1.0 109.794 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.46 ' H ' ' C ' ' A' ' 94' ' ' ALA . 57.3 t60 -73.28 -63.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.405 178.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 97' ' ' HIS . 33.6 t60 -56.71 -16.34 6.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.486 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.76 -71.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.465 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -73.58 -57.6 3.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.403 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 46.3 64.55 8.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.604 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.63 127.78 7.4 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.783 2.322 . . . . 1.0 112.054 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -72.08 -44.64 62.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.551 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.53 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.4 m -47.34 -20.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.537 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -55.45 -43.43 75.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.539 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.4 p -60.29 -44.37 95.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.483 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.43 -37.44 3.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.227 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -63.87 -58.54 6.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.581 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' B' ' 18' ' ' GLU . 41.1 ttm180 -52.38 -45.17 65.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.908 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 90.8 t -45.68 -23.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.439 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 29.7 m -76.13 -41.17 50.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.349 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' B' ' 15' ' ' ARG . 81.3 tt0 -56.96 -18.16 12.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.678 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 51.9 mt -70.94 -63.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.796 -0.362 . . . . 1.0 110.742 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' B' ' 23' ' ' LEU . 10.1 m-85 -48.37 -63.88 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.837 -178.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.42 ' C ' ' H ' ' B' ' 23' ' ' LEU . 59.2 mttm -47.5 -37.49 12.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.213 -177.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.65 4.9 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.367 . . . . 1.0 110.684 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.42 ' H ' ' C ' ' B' ' 21' ' ' LYS . 8.5 tp -121.79 -17.51 7.36 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.185 -178.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.71 77.07 0.8 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.976 -0.849 . . . . 1.0 110.976 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -164.09 114.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 1.0 110.538 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -51.2 -26.42 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.769 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.494 HD21 ' C ' ' B' ' 27' ' ' ASN . 0.4 OUTLIER -75.91 -47.04 26.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.201 -178.302 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -75.64 -35.14 60.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.174 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.63 -43.72 95.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.206 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.509 ' NH1' HE21 ' B' ' 48' ' ' GLN . 43.4 ttt-85 -73.54 -33.04 64.52 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.636 -0.426 . . . . 1.0 111.304 -177.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 88.9 mt -66.29 -35.62 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.745 -0.382 . . . . 1.0 109.986 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 7.4 mmt -60.81 -36.7 79.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.367 178.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -62.34 -33.98 75.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.733 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 18.8 tp -70.85 -54.37 11.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.337 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 34.8 mt -58.82 -12.95 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.795 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -78.89 -40.08 33.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.572 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 47.1 t -71.63 -37.03 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.687 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 34.6 p -173.51 161.69 4.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.666 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.507 ' N ' ' OE2' ' B' ' 39' ' ' GLU . 1.8 mp0 -72.41 156.01 39.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.399 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.22 144.25 18.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.867 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.8 m -80.12 166.68 21.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.188 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.416 ' CG2' ' N ' ' B' ' 43' ' ' GLY . 24.2 m -54.42 -50.34 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.69 -0.404 . . . . 1.0 110.644 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.416 ' N ' ' CG2' ' B' ' 42' ' ' VAL . . . -61.06 -34.54 88.31 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.184 -0.766 . . . . 1.0 111.184 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 50.1 m170 -66.03 -27.18 67.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.321 . . . . 1.0 110.731 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.0 mt -70.26 -22.28 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.239 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.528 ' O ' ' N ' ' B' ' 50' ' ' ASN . 7.6 m -53.57 -55.77 22.82 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.438 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -45.13 -21.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.509 HE21 ' NH1' ' B' ' 30' ' ' ARG . 33.4 tp60 -90.11 -45.27 9.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.162 178.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 38.9 mt -134.25 59.29 1.74 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.004 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' B' ' 46' ' ' SER . 40.9 m-80 -48.6 96.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.792 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 72.3 mt -137.1 -78.94 0.39 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.387 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -157.75 132.14 8.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.357 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.507 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 3.0 mp0 -63.39 -50.19 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.684 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.1 p -48.7 -30.98 6.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.695 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -74.06 -39.59 63.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.418 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.63 -44.58 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.318 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.4 p -59.98 -38.47 82.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.269 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -67.32 -40.3 85.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.545 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -66.69 -62.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.355 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -44.72 -27.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.968 -0.293 . . . . 1.0 111.348 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -70.18 -37.41 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.585 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.37 -35.1 79.28 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.575 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.499 ' CD1' ' N ' ' B' ' 63' ' ' LEU . 8.1 mp -69.88 -25.62 63.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.313 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.533 ' CB ' ' HZ3' ' B' ' 64' ' ' LYS . 2.8 ttmp? -61.28 -45.08 95.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.667 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.469 ' O ' ' CE1' ' B' ' 67' ' ' HIS . 26.6 t -54.5 -36.37 64.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.718 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.9 0.41 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.459 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.469 ' CE1' ' O ' ' B' ' 65' ' ' SER . 13.4 m80 65.6 12.98 8.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.352 178.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 71.7 mt -76.96 -108.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.368 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.2 m -43.38 156.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.843 0.354 . . . . 1.0 111.084 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -149.03 172.54 14.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 1.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.12 131.71 11.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.949 0.404 . . . . 1.0 110.632 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.454 ' NZ ' ' CB ' ' B' ' 72' ' ' LYS . 8.4 mtpm? -110.04 161.82 15.15 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.399 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . 0.46 ' N ' ' CD ' ' B' ' 73' ' ' ARG . 0.8 OUTLIER -89.95 124.89 35.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.959 178.465 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -152.68 93.99 1.83 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.666 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.02 28.58 53.91 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.307 -0.717 . . . . 1.0 111.307 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 71.7 18.78 5.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.925 0.393 . . . . 1.0 110.535 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 6.4 t -126.88 132.07 51.02 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.332 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.443 ' SD ' ' N ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -84.33 110.91 18.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.467 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.0 mm -93.12 120.87 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.606 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -96.15 132.95 41.03 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.603 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 18.9 p -132.19 161.14 34.12 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.256 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' B' ' 84' ' ' ASP . 10.5 tp -78.27 65.32 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.892 -178.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 50.65 -86.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.119 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 82' ' ' LEU . 12.6 m-20 -148.94 168.99 21.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.098 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 pt -61.29 -2.15 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.753 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.462 ' H ' ' C ' ' B' ' 84' ' ' ASP . 34.0 m170 -71.0 -80.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.352 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 61.7 t -45.92 -20.45 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.748 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' B' ' 86' ' ' HIS . . . -59.37 -61.48 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.646 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.47 -28.85 69.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.594 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 9.1 ttt -62.75 -38.01 88.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.284 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.51 -48.52 79.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 1.0 109.766 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -65.2 -56.0 15.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.735 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -46.43 -28.33 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.447 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.23 -66.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 1.0 110.836 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . 0.429 ' O ' ' ND2' ' B' ' 99' ' ' ASN . 11.1 tt -55.04 -14.02 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.76 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -68.59 -58.46 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.609 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -60.07 -21.21 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.607 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.3 -76.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.383 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.498 ' C ' HD21 ' B' ' 99' ' ' ASN . 0.1 OUTLIER -80.28 69.18 6.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.293 179.027 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.585 ' N ' ' CD ' ' B' ' 101' ' ' PRO . 19.2 t60 -74.1 -34.86 2.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 1.0 112.132 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' B' ' 100' ' ' HIS . 71.5 Cg_exo -50.44 123.6 11.58 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 121.592 1.528 . . . . 1.0 112.132 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -69.86 -61.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.731 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 117.956 -1.021 . . . . 1.0 110.333 -179.556 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.537 ' ND2' ' H ' ' A' ' 12' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.242 -0.651 . . . . 1.0 109.242 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -86.96 -13.05 45.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.478 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.6 -38.42 62.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.635 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.537 ' H ' ' ND2' ' A' ' 9' ' ' ASN . 87.9 m -53.54 -67.17 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.78 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' CD1' ' H ' ' A' ' 13' ' ' LEU . 10.0 mp -46.75 -33.94 4.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.351 -179.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -72.87 -35.52 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.991 0.424 . . . . 1.0 110.074 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 12' ' ' THR . 38.4 ttm180 -75.55 -51.8 12.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.877 -0.602 . . . . 1.0 110.768 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.3 t -50.91 -38.93 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.755 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.8 m -68.03 -36.62 80.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.636 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.99 -22.32 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.891 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.405 HG23 HD11 ' A' ' 19' ' ' ILE . 18.3 mm -70.54 -32.42 49.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.422 -0.353 . . . . 1.0 110.884 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -77.31 -63.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.894 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -50.52 -26.27 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 1.0 110.469 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.52 3.19 9.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.842 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.1 mt -130.97 15.24 5.23 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.184 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.99 -65.05 3.84 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.804 -0.918 . . . . 1.0 110.804 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -48.04 120.87 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 1.0 110.73 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -68.58 -25.15 64.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.858 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -57.23 -37.65 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.92 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.53 -22.2 59.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.995 -178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.7 mt -76.87 -35.93 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.949 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -70.49 -32.06 69.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.844 -0.343 . . . . 1.0 110.675 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -71.5 -53.34 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.58 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.409 ' O ' ' OG ' ' A' ' 36' ' ' SER . 56.5 mtt -49.83 -34.06 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.783 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -66.07 -40.19 90.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.919 0.39 . . . . 1.0 110.624 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -57.06 13.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.064 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.434 ' CD2' ' CE2' ' A' ' 80' ' ' TYR . 10.1 mp -54.7 -22.37 13.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.711 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 32' ' ' MET . 2.0 m -63.18 -33.63 75.9 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.424 -0.51 . . . . 1.0 109.841 178.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 t -78.76 -38.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.429 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.8 p -169.48 130.71 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.87 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.524 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.3 pm0 -48.14 172.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.867 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.49 146.2 19.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.551 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.6 t -89.53 -170.21 2.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.564 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -69.88 -61.45 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.114 0.483 . . . . 1.0 110.586 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.51 -37.68 89.15 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -71.92 -43.37 65.42 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.6 tt -73.21 -18.37 18.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.259 -0.576 . . . . 1.0 111.003 -176.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.516 ' CB ' HE22 ' A' ' 53' ' ' GLN . 5.3 m -63.13 -15.32 56.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.008 0.432 . . . . 1.0 110.536 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.588 ' HD1' ' N ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -81.99 -11.23 58.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.136 179.211 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -75.04 -45.85 38.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.928 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.4 tp -171.19 -30.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.147 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' SER . 15.3 m120 -84.35 129.14 34.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.567 -0.288 . . . . 1.0 110.899 -178.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.496 ' CD1' ' N ' ' A' ' 51' ' ' LEU . 8.4 mp -87.91 -63.84 1.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.895 0.379 . . . . 1.0 110.018 178.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 m -72.4 141.94 48.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.63 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.516 HE22 ' CB ' ' A' ' 46' ' ' SER . 46.8 mm-40 -80.94 -51.56 8.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.913 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -44.79 -27.64 0.54 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.868 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -67.31 -44.4 79.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.621 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.33 -34.65 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.828 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -57.3 -40.72 78.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.023 0.44 . . . . 1.0 109.945 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.32 -52.23 59.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.292 178.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -49.53 -63.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.023 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.6 mt -42.49 -25.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.454 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -70.86 -42.14 70.49 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.965 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.525 ' CD2' ' N ' ' A' ' 62' ' ' LEU . 3.2 mm? -67.59 -47.96 68.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.59 -179.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.5 mt -55.87 -27.26 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.667 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -72.04 -31.86 66.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.404 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 67' ' ' HIS . 15.0 t -55.37 -57.81 10.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.664 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.426 ' O ' ' CG2' ' A' ' 66' ' ' VAL . 2.6 p -62.94 0.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.258 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.517 ' H ' ' C ' ' A' ' 65' ' ' SER . 26.6 t60 64.47 15.1 9.35 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.18 177.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 69' ' ' VAL . 21.2 tp -64.08 -113.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.725 -0.472 . . . . 1.0 109.725 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 68' ' ' LEU . 20.9 m -46.93 174.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.402 . . . . 1.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -142.53 175.01 10.12 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.051 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.04 158.78 38.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.423 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -149.69 116.99 6.05 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.599 179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -60.53 151.22 29.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.182 0.515 . . . . 1.0 111.408 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -153.06 87.67 1.28 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.27 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 74.12 62.92 2.8 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 57.56 1.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.453 0.168 . . . . 1.0 111.435 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.504 ' H ' ' C ' ' A' ' 75' ' ' GLY . 61.1 m -108.73 132.57 53.82 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.802 0.334 . . . . 1.0 110.367 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.6 ptt? -98.46 118.29 34.82 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.394 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.409 ' O ' ' CG2' ' A' ' 79' ' ' ILE . 10.4 tp -95.44 123.26 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.48 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.434 ' CE2' ' CD2' ' A' ' 35' ' ' LEU . 14.7 t80 -101.4 136.06 41.87 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.211 -0.45 . . . . 1.0 109.941 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 p -165.86 -160.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.879 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.8 mt -78.81 176.72 9.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.829 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -93.71 -63.18 1.23 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.921 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -145.69 -83.56 0.13 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.24 -177.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.427 ' C ' ' CD1' ' A' ' 85' ' ' ILE . 2.4 pp -156.93 -2.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.526 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -77.84 -35.87 50.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.176 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 37.0 t -67.13 -43.33 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.549 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.37 -52.94 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.456 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.7 m -49.21 -31.12 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.377 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.6 tpp -62.62 -41.59 99.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.629 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.5 mt -72.36 -49.94 30.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.914 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -56.99 -24.13 51.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.223 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -86.08 -23.56 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 1.0 110.551 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.16 -47.59 42.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.508 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.4 mm -68.18 -23.69 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.524 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.554 ' HE2' ' CE1' ' B' ' 86' ' ' HIS . 43.5 t60 -67.33 -60.24 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.792 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.521 ' O ' ' NE2' ' A' ' 100' ' ' HIS . 71.3 t60 -63.17 -18.3 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.992 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.33 -77.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.9 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.528 ' O ' ' CD2' ' A' ' 100' ' ' HIS . 19.7 p30 -86.91 168.62 13.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.713 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 99' ' ' ASN . 87.6 m-70 -158.8 68.0 3.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.573 -179.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -83.56 -21.97 4.02 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.936 2.424 . . . . 1.0 112.348 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -66.33 140.27 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.713 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 118.08 -0.962 . . . . 1.0 110.62 179.855 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 44.7 p30 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.7 t -83.78 -15.37 48.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.582 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -75.77 -30.42 59.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.526 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.4 p -52.05 -37.66 54.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.597 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' B' ' 13' ' ' LEU . 7.9 mp -77.41 -36.25 53.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.198 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.75 -10.59 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.707 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' B' ' 17' ' ' THR . 92.8 mtt180 -93.48 -70.12 0.72 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.887 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.6 m -44.24 -15.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.316 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.514 ' N ' ' O ' ' B' ' 15' ' ' ARG . 16.1 p -78.75 -51.78 9.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.14 -178.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -64.45 -16.02 61.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.821 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 35.7 mm -67.31 -37.57 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.661 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -70.88 -66.72 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.488 -0.324 . . . . 1.0 111.01 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -55.17 -21.88 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.473 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.51 -32.92 19.62 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.908 -0.317 . . . . 1.0 110.952 -178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -129.94 58.38 1.65 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.979 0.418 . . . . 1.0 110.733 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.36 -22.12 38.7 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -81.47 130.45 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 1.0 110.886 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' B' ' 29' ' ' ILE . 67.7 m-85 -51.98 -71.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.307 -178.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -33.66 -34.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.337 0.495 . . . . 1.0 112.337 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' B' ' 26' ' ' TYR . 94.8 mtt180 -72.13 -34.76 68.8 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.994 -0.282 . . . . 1.0 111.709 -177.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' B' ' 26' ' ' TYR . 6.0 tt -59.18 -29.34 41.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.641 -0.423 . . . . 1.0 110.703 -177.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -78.92 -33.79 45.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.322 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -58.25 -47.26 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.761 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 53.7 mtm -70.36 -36.64 74.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.998 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -56.13 -32.55 64.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 24.0 tp -71.57 -46.25 59.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.378 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 31.1 mt -63.49 -5.79 4.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -84.49 -57.98 2.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.311 . . . . 1.0 110.369 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 15.3 t -59.65 -39.75 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.562 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -165.5 153.16 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.461 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.512 ' N ' ' OE2' ' B' ' 39' ' ' GLU . 1.8 mp0 -67.4 162.83 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.509 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.06 134.57 10.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.5 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.6 p -81.4 -164.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.643 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.58 -66.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.911 -179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.55 -19.35 18.96 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.604 -0.598 . . . . 1.0 111.604 -178.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -79.39 -12.92 59.9 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.76 -0.259 . . . . 1.0 111.571 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.447 ' C ' ' H ' ' B' ' 47' ' ' HIS . 9.1 tp -75.93 -22.58 15.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.734 -0.387 . . . . 1.0 110.694 -178.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.414 ' HG ' HE21 ' B' ' 53' ' ' GLN . 16.2 m -55.61 -8.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.86 -178.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.447 ' H ' ' C ' ' B' ' 45' ' ' ILE . 2.0 m-70 -86.11 -31.3 21.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.603 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -95.91 -57.56 2.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.428 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' B' ' 51' ' ' LEU . 9.8 mp -97.16 50.63 1.09 Allowed 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.942 -0.392 . . . . 1.0 109.942 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' B' ' 50' ' ' ASN . 1.5 m120 -46.71 87.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.895 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' B' ' 49' ' ' LEU . 16.2 tp -160.84 -68.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.408 -177.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -158.59 138.75 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.587 -0.279 . . . . 1.0 110.404 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.418 ' CD ' ' N ' ' B' ' 53' ' ' GLN . 23.3 mp0 -77.27 -48.68 16.85 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.935 -0.306 . . . . 1.0 110.778 179.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.482 ' O ' ' CE1' ' B' ' 58' ' ' HIS . 11.6 t -49.43 -29.75 6.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.762 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -66.87 -41.5 87.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.496 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 57.3 t -73.92 -37.17 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.598 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.0 p -58.83 -31.76 68.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.202 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.482 ' CE1' ' O ' ' B' ' 54' ' ' SER . 15.9 m170 -76.31 -63.13 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.397 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.52 -44.35 17.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.696 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.6 tp -58.15 -33.38 69.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 1.0 110.525 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -61.94 -30.93 71.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.67 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.528 ' N ' ' CD2' ' B' ' 62' ' ' LEU . 3.0 mm? -78.82 -25.8 44.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.043 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 25.5 tp -73.63 -33.58 64.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.261 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . 0.433 ' O ' ' CD2' ' B' ' 67' ' ' HIS . 34.9 ttmt -71.7 -26.97 62.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.653 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 9.3 t -48.92 -52.22 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.056 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.8 t -79.92 -4.5 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.093 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.459 ' C ' ' H ' ' B' ' 69' ' ' VAL . 42.1 m80 56.56 25.63 10.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.295 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.15 -10.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.966 -0.383 . . . . 1.0 109.966 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.459 ' H ' ' C ' ' B' ' 67' ' ' HIS . 16.2 m -146.66 173.29 2.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.534 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -136.87 150.03 48.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.134 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -133.43 159.66 39.68 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.371 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -135.42 146.98 48.82 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.376 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 66.8 mtm-85 -90.96 135.47 33.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.23 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -140.78 92.89 2.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.888 0.375 . . . . 1.0 110.37 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.82 -76.39 1.75 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.249 -0.74 . . . . 1.0 111.249 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -154.49 -18.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.739 0.304 . . . . 1.0 110.814 -178.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 67.3 m -87.32 133.69 33.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.843 0.354 . . . . 1.0 110.632 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.447 ' O ' ' CE2' ' B' ' 80' ' ' TYR . 44.6 mtt -92.68 96.18 10.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.492 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.552 ' CD1' ' N ' ' B' ' 79' ' ' ILE . 1.5 mp -82.31 150.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.85 -0.426 . . . . 1.0 109.85 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.447 ' CE2' ' O ' ' B' ' 78' ' ' MET . 73.7 m-85 -130.01 146.11 51.68 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.205 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' SER . . . . . 0.434 ' HG ' ' C ' ' B' ' 80' ' ' TYR . 8.3 m -159.51 -169.53 2.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.576 -179.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.521 ' N ' ' CD2' ' B' ' 82' ' ' LEU . 3.1 mm? -69.22 171.95 7.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.179 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' B' ' 84' ' ' ASP . 8.8 t70 -84.36 -89.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.684 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 45.6 t0 -147.32 42.62 1.1 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.39 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.469 ' C ' ' CG ' ' B' ' 86' ' ' HIS . 33.8 mt 66.09 167.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 O-C-N 123.406 0.441 . . . . 1.0 110.152 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' HE2' ' A' ' 96' ' ' HIS . 4.2 m170 87.23 -41.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.793 0.683 . . . . 1.0 110.211 -177.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 66.7 t -73.17 -49.13 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.945 0.403 . . . . 1.0 110.46 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.67 -56.73 14.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.049 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 1.5 t -48.12 -40.37 23.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.856 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 37.3 ttm -49.28 -44.45 44.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 1.0 110.27 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.23 -41.07 99.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.666 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' B' ' 94' ' ' ALA . 62.1 tttm -66.41 -62.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.877 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -45.5 -18.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.093 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' B' ' 92' ' ' LYS . . . -76.2 -43.84 40.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.55 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 14.9 mm -72.41 -16.54 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.734 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -74.26 -46.44 41.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.706 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.439 ' ND1' ' HE2' ' B' ' 100' ' ' HIS . 11.7 t60 -75.83 -26.33 57.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.582 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -43.57 -24.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.349 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -163.46 108.37 1.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.738 -0.385 . . . . 1.0 111.167 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.439 ' HE2' ' ND1' ' B' ' 97' ' ' HIS . 11.4 m-70 -82.6 151.27 64.72 Favored Pre-proline 0 C--N 1.33 -0.264 0 N-CA-C 109.76 -0.459 . . . . 1.0 109.76 177.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -73.97 -170.12 0.66 Allowed 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 121.806 1.671 . . . . 1.0 111.839 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -71.23 174.69 6.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.612 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 117.954 -1.022 . . . . 1.0 110.338 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.522 ' C ' ' H ' ' A' ' 11' ' ' ASP . 56.8 t30 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.6 p -53.43 -5.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.3 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.522 ' H ' ' C ' ' A' ' 9' ' ' ASN . 4.2 m-20 -58.82 -31.0 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 1.0 110.141 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.8 t -70.75 -39.18 73.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.541 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.4 tp -56.27 -27.6 55.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.553 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -69.06 -61.23 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.339 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -53.55 -21.08 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.281 0.475 . . . . 1.0 112.281 -175.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.2 t -48.36 -50.24 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.546 -0.462 . . . . 1.0 110.911 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 t -59.78 -40.41 88.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.838 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -55.44 -20.78 13.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.651 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.4 mt -69.62 -70.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.012 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -44.14 -64.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.258 -177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -42.51 -39.62 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.274 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.46 -28.68 70.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.277 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 10.1 mp -100.57 22.39 11.88 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 110.204 -0.295 . . . . 1.0 110.204 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.18 -75.19 0.26 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.281 -0.728 . . . . 1.0 111.281 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -44.8 138.72 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.898 0.38 . . . . 1.0 110.982 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.408 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 49.1 p90 -68.14 -40.73 82.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.923 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' CD2' ' A' ' 26' ' ' TYR . 64.0 t30 -45.71 -35.5 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.858 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -66.46 -34.39 77.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.962 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -69.25 -28.44 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 1.0 111.158 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.491 HH21 ' CD2' ' A' ' 49' ' ' LEU . 53.1 ttp180 -79.66 -38.55 33.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.744 0.306 . . . . 1.0 111.01 -178.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.2 mt -56.65 -26.68 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.033 -0.358 . . . . 1.0 110.033 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 34.8 ttm -81.99 -33.45 30.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.603 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.68 -45.96 87.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.186 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -53.59 21.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.034 0.445 . . . . 1.0 110.41 -178.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.72 -29.34 70.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.69 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -55.55 -69.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.57 -177.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.5 p -52.99 -29.13 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.577 -0.283 . . . . 1.0 111.312 -176.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 t -160.24 145.32 14.85 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.925 -0.31 . . . . 1.0 110.626 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -73.42 155.25 39.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.522 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.37 152.78 26.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 1.0 110.877 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 t -86.86 163.57 17.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.017 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 43' ' ' GLY . 11.8 p -47.46 -46.15 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 1.0 110.705 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.451 ' N ' ' CG1' ' A' ' 42' ' ' VAL . . . -64.86 -39.67 96.73 Favored Glycine 0 CA--C 1.527 0.793 0 C-N-CA 121.327 -0.463 . . . . 1.0 112.19 -176.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.527 ' O ' ' CE1' ' A' ' 47' ' ' HIS . 32.2 m170 -73.97 -36.59 64.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.973 0.387 . . . . 1.0 111.775 -176.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 tt -76.8 -13.74 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.614 -0.434 . . . . 1.0 110.439 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.9 m -56.02 -45.53 79.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.203 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 44' ' ' HIS . 4.4 p-80 -58.67 -11.16 2.81 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.711 -0.395 . . . . 1.0 110.769 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.508 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 0.4 OUTLIER -74.74 -42.73 57.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.117 179.75 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.491 ' CD2' HH21 ' A' ' 30' ' ' ARG . 31.9 mt -96.74 -30.78 13.01 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.333 179.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 55.82 63.07 2.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.266 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.6 mt -143.22 -163.03 1.55 Allowed 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.118 -0.697 . . . . 1.0 109.118 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.5 t -71.69 126.76 30.54 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.919 -0.312 . . . . 1.0 110.237 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -52.65 -18.89 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.984 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.4 p -78.8 -20.13 50.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.745 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -72.97 -44.28 61.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.145 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 7.6 p -74.35 -38.95 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.016 -178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.4 p -60.57 -39.72 89.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.992 -178.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.432 ' N ' ' HD1' ' A' ' 58' ' ' HIS . 0.5 OUTLIER -73.24 -38.24 66.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.862 -179.095 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -73.09 -32.77 65.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.075 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.28 -35.0 78.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.576 -0.284 . . . . 1.0 110.822 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.4 -35.79 80.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 1.0 110.627 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.6 tp -56.43 -32.7 65.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.427 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 mt -75.56 -25.31 56.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.044 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -69.91 -12.37 61.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.71 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.2 m -52.03 -61.26 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.935 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.3 m -88.81 27.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.944 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 55.7 33.3 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.162 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.1 tp -70.59 -16.21 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 1.0 110.656 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 70' ' ' LYS . 96.6 t -139.97 159.03 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.695 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.412 ' N ' ' CG1' ' A' ' 69' ' ' VAL . 31.3 ttmt -131.25 140.19 49.79 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.851 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.75 128.19 49.59 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.913 -177.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.52 ' CE ' ' NE2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -104.46 122.04 44.69 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 177.853 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -85.03 123.51 30.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 1.0 111.246 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.52 ' NE2' ' CE ' ' A' ' 72' ' ' LYS . 41.4 mm-40 -128.71 108.12 10.22 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.246 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.85 -87.07 0.02 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.16 -0.776 . . . . 1.0 111.16 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -143.28 -10.5 0.74 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.666 0.27 . . . . 1.0 110.429 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.7 t -87.54 131.71 34.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.295 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 41.3 mmm -92.59 89.02 6.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.096 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.498 ' N ' ' CD1' ' A' ' 79' ' ' ILE . 1.8 mp -84.06 161.7 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.45 ' N ' ' CG2' ' A' ' 79' ' ' ILE . 75.3 m-85 -138.22 152.1 48.29 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.063 0.459 . . . . 1.0 110.62 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.492 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 5.7 t -151.7 180.0 7.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.061 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.492 ' N ' ' OG ' ' A' ' 81' ' ' SER . 23.6 mt -66.14 155.92 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.922 -0.311 . . . . 1.0 110.374 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -72.8 -38.42 67.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.399 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -159.23 -172.57 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.0 109.778 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.5 tt -79.61 -29.9 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 1.0 110.994 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.425 ' O ' ' OG1' ' A' ' 89' ' ' THR . 24.2 m80 -57.92 -15.84 10.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.983 -178.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.9 t -70.27 -46.16 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 1.0 111.133 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.96 -15.0 62.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.061 -178.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 86' ' ' HIS . 59.4 p -79.26 -65.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.986 -178.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.442 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 11.3 ptt? -50.11 -45.47 52.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.219 -178.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.442 ' N ' ' CG ' ' A' ' 90' ' ' MET . 0.3 OUTLIER -57.38 -63.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 1.0 110.64 -177.899 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -51.19 -62.49 1.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.145 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 93' ' ' GLN . 11.0 tm0? -51.28 -17.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.372 -177.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.58 -63.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 1.0 111.056 -178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.4 pt -64.2 -16.98 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.134 -177.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -75.26 -39.52 59.75 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.221 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -52.03 -64.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.367 -0.533 . . . . 1.0 109.782 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.14 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.41 . . . . 1.0 109.975 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -66.55 85.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 1.0 109.973 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.579 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 56.8 t60 -75.93 -35.43 1.69 Allowed Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 112.591 0.589 . . . . 1.0 112.591 -177.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 100' ' ' HIS . 56.0 Cg_endo -87.89 82.01 1.02 Allowed 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 121.898 1.732 . . . . 1.0 112.515 -176.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -172.9 155.1 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.51 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.976 -1.011 . . . . 1.0 110.771 -179.674 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 11.1 m120 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.9 m -80.04 -30.48 39.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.652 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 21.9 p-10 -60.61 -50.78 72.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 1.0 111.183 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 t -65.69 -23.49 66.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.832 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.25 -48.81 48.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.403 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -73.3 -9.87 59.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.649 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.404 ' C ' ' H ' ' B' ' 17' ' ' THR . 19.0 tpt85 -83.56 -57.3 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.789 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.4 m -51.99 -12.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.361 -178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.404 ' H ' ' C ' ' B' ' 15' ' ' ARG . 11.1 m -85.51 -52.72 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 1.0 111.166 -178.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.19 -26.46 62.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.615 -176.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . 0.473 ' CG2' ' N ' ' B' ' 20' ' ' PHE . 13.6 tt -53.05 -46.96 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.724 -178.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.473 ' N ' ' CG2' ' B' ' 19' ' ' ILE . 64.8 m-85 -67.73 -52.97 31.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 1.0 110.559 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -50.32 -15.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.99 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' B' ' 20' ' ' PHE . . . -82.52 -3.97 56.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.417 -178.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 pp -151.42 50.92 0.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.011 0.434 . . . . 1.0 110.723 -178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.39 -74.51 0.94 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -42.9 146.96 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 1.0 111.175 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -79.66 -24.81 41.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.04 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -57.63 -43.09 84.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.491 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -69.79 -23.91 63.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.8 0.333 . . . . 1.0 110.769 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.4 mm -70.92 -30.86 43.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.812 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -67.06 -30.24 70.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.931 0.396 . . . . 1.0 110.43 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -72.72 -42.73 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.516 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 7.6 tpt -58.32 -38.88 78.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.699 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -62.73 -32.73 73.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.455 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.65 -54.44 31.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.136 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' B' ' 38' ' ' SER . 14.8 mt -44.07 -64.86 0.59 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.902 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' B' ' 37' ' ' VAL . 19.0 p -41.79 -56.1 2.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.409 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.424 ' N ' ' OG ' ' B' ' 36' ' ' SER . 98.2 t -49.38 -41.46 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.492 -179.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.406 ' O ' ' O ' ' B' ' 35' ' ' LEU . 22.9 t -169.4 159.18 8.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.6 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' B' ' 39' ' ' GLU . 32.9 mp0 -80.07 147.16 31.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.206 179.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.41 145.06 18.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 1.0 110.764 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -81.05 171.72 14.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.195 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' B' ' 43' ' ' GLY . 8.0 p -52.3 -49.06 43.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.782 -0.367 . . . . 1.0 110.679 -178.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . 0.47 ' N ' ' CG1' ' B' ' 42' ' ' VAL . . . -63.06 -52.44 47.73 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.716 -0.554 . . . . 1.0 111.716 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -52.24 -29.41 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.723 0.296 . . . . 1.0 111.185 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.2 mt -73.17 -24.42 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.406 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.435 ' O ' ' N ' ' B' ' 50' ' ' ASN . 19.5 p -53.52 -24.15 12.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.763 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -67.02 -11.74 57.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.997 0.427 . . . . 1.0 110.237 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.463 ' O ' ' ND2' ' B' ' 50' ' ' ASN . 7.2 tt0 -89.88 -56.15 3.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.398 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.444 ' CD1' ' N ' ' B' ' 49' ' ' LEU . 9.8 mp -78.02 -26.85 48.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.122 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' B' ' 48' ' ' GLN . 1.2 m-80 56.59 28.67 14.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.681 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.485 ' CG ' ' H ' ' B' ' 52' ' ' SER . 5.4 tp -117.33 -138.61 0.36 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.971 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.552 ' HG ' ' N ' ' B' ' 53' ' ' GLN . 13.6 t -85.99 153.3 22.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.611 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.552 ' N ' ' HG ' ' B' ' 52' ' ' SER . 15.3 pt20 -82.25 -43.3 17.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.987 -179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 28.0 t -56.68 -31.21 64.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.826 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -57.43 -39.16 75.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.616 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 t -78.8 -30.98 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.684 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 9.8 t -62.37 -45.74 91.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.515 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -66.14 -61.99 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.535 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -48.91 -53.59 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.896 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.0 tp -49.67 -29.49 7.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.887 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . 0.427 ' HZ2' ' CB ' ' B' ' 61' ' ' LYS . 2.8 ttmp? -67.93 -32.27 72.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.856 -178.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.436 ' CD1' ' N ' ' B' ' 62' ' ' LEU . 9.9 mp -68.34 -44.91 74.25 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.831 -0.348 . . . . 1.0 110.128 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.413 ' CD1' ' N ' ' B' ' 63' ' ' LEU . 10.0 mp -55.82 -24.49 36.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.182 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -71.33 -24.31 62.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.427 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.413 ' O ' ' CE1' ' B' ' 67' ' ' HIS . 43.4 t -46.91 -61.29 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.771 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 13.6 m -79.99 2.28 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.545 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.444 ' C ' ' N ' ' B' ' 69' ' ' VAL . 5.9 m-70 64.94 28.23 12.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.869 -0.605 . . . . 1.0 111.419 178.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 7.3 tp -48.09 -15.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 1.0 110.377 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.444 ' N ' ' C ' ' B' ' 67' ' ' HIS . 33.0 m -150.03 -175.86 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.693 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.433 ' HZ2' ' HZ1' ' B' ' 72' ' ' LYS . 23.6 ttpp -151.65 115.92 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.352 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.6 146.53 28.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.57 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . 0.433 ' HZ1' ' HZ2' ' B' ' 70' ' ' LYS . 60.6 mttm -122.17 162.29 21.6 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.033 179.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -96.37 139.2 32.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.874 0.369 . . . . 1.0 110.644 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -147.91 105.34 3.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.427 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.69 -91.13 0.32 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -148.42 15.36 1.0 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 1.0 110.592 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 47.5 m -121.72 130.07 53.18 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.353 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mtp -86.92 96.3 10.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.217 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.6 tt -81.45 148.12 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.826 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -127.01 140.88 51.98 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.555 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 51.1 m -156.5 -174.95 5.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.359 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 16.7 mt -70.97 167.2 19.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.729 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -77.87 -56.59 4.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.631 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -155.24 -80.41 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.915 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 19.1 pt -156.78 -28.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.252 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -57.06 -40.94 77.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.745 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' B' ' 88' ' ' ALA . 12.8 p -64.27 -45.49 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.548 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.426 ' N ' ' CG1' ' B' ' 87' ' ' VAL . . . -62.13 -25.54 67.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.542 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 18.3 m -73.67 -54.7 7.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.668 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 20.4 ttt -50.6 -55.2 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.781 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.8 tp -47.59 -59.93 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.298 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -58.9 -62.1 2.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.779 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -39.86 -36.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.575 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.4 -69.05 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 1.0 110.741 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.6 tt -56.06 -19.05 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.08 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -73.46 -18.97 61.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.268 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . 0.506 ' C ' ' H ' ' B' ' 99' ' ' ASN . 74.6 t60 -71.69 -56.24 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.175 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.13 12.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.969 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.506 ' H ' ' C ' ' B' ' 97' ' ' HIS . 3.1 t30 -84.81 -5.34 59.33 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.464 -0.335 . . . . 1.0 110.704 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -172.7 58.97 0.24 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.453 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.459 ' C ' ' H ' ' B' ' 103' ' ' GLU . 79.5 Cg_endo -74.54 -95.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.548 2.165 . . . . 1.0 111.741 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -78.3 20.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.502 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . 0.459 ' H ' ' C ' ' B' ' 101' ' ' PRO . 7.3 tp10 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.965 -1.016 . . . . 1.0 110.624 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.341 -0.614 . . . . 1.0 109.341 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.6 p -83.21 -21.39 33.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.349 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 11' ' ' ASP . 1.9 m-20 -81.22 -25.2 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.641 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 15' ' ' ARG . 19.6 p -68.95 -61.11 1.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.582 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.4 -32.3 48.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.883 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -71.48 -24.98 62.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.286 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 12' ' ' THR . 60.2 ttm-85 -90.22 -33.91 16.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.626 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.0 t -79.23 -23.59 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.274 -177.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.525 ' OG1' ' NZ ' ' A' ' 21' ' ' LYS . 9.3 t -77.54 -29.7 52.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.522 -0.308 . . . . 1.0 111.069 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -77.69 -17.67 57.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.147 -178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.62 -51.03 77.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.24 -0.584 . . . . 1.0 110.146 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -64.18 -59.64 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.78 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.525 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 58.4 mttp -47.54 -30.48 3.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.766 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.61 5.98 2.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.104 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' GLY . 54.4 mt -105.17 -7.68 18.88 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.352 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -54.64 -163.81 0.01 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 t70 61.29 95.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 1.0 110.589 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -49.89 -48.12 51.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.96 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -47.13 -34.01 5.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 1.0 111.099 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -77.44 -39.1 47.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.072 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.1 mt -57.06 -41.53 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.734 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -68.67 -30.89 69.68 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.836 -0.346 . . . . 1.0 110.41 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -75.38 -20.12 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 1.0 109.932 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -74.29 -36.82 63.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.903 178.287 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -60.72 -32.51 71.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.31 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.39 -42.19 92.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.344 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.2 mt -75.39 -6.43 49.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.611 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -78.44 -51.23 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.704 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.4 p -77.72 -31.81 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.766 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.6 p -172.13 140.24 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.753 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -52.59 175.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.306 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.5 147.23 20.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.787 0.327 . . . . 1.0 110.72 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 t -86.43 -169.55 2.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.81 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.17 -63.49 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.856 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.71 -38.1 94.6 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.483 -0.647 . . . . 1.0 111.483 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -48.26 -32.63 7.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.654 0.264 . . . . 1.0 111.236 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 48' ' ' GLN . 95.9 mt -67.43 -41.58 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.995 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' ASN . 85.3 p -45.54 -17.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.279 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' ILE . 64.0 t-80 -96.87 -25.88 15.28 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.781 0.324 . . . . 1.0 110.884 -179.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 45' ' ' ILE . 44.6 tp60 -66.12 -45.48 80.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.898 -177.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.2 tt -166.72 -50.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.101 0.477 . . . . 1.0 110.148 -178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 46' ' ' SER . 29.0 m120 -72.21 175.25 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.595 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.55 34.22 0.63 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.055 0.455 . . . . 1.0 109.926 -179.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -151.26 122.43 7.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.163 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -72.57 -20.62 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.868 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.5 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 48.6 m -77.57 -31.61 53.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.681 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -69.62 -45.89 67.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.845 -179.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.0 m -73.71 -37.07 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.896 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.9 t -53.48 -38.14 63.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.976 0.417 . . . . 1.0 110.464 179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.5 ' CE1' ' O ' ' A' ' 54' ' ' SER . 25.5 m170 -65.37 -51.8 57.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.549 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -50.77 -52.77 37.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.16 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mp -49.21 -27.72 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.223 -178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -68.76 -42.41 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.797 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' A' ' 62' ' ' LEU . 9.4 mp -61.23 -29.66 69.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.705 -179.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.64 -32.01 60.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.013 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -60.37 -37.78 81.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.327 . . . . 1.0 110.767 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.4 t -59.59 -57.67 11.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.605 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.42 ' C ' ' N ' ' A' ' 68' ' ' LEU . 11.5 m -73.53 6.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.749 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 46.79 18.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.705 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.42 ' N ' ' C ' ' A' ' 66' ' ' VAL . 45.8 tp -57.96 -15.87 10.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.481 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.3 m -147.23 176.29 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.589 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -148.62 124.35 10.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.246 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.76 160.76 14.3 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.746 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.559 ' HZ1' ' CB ' ' A' ' 72' ' ' LYS . 7.8 ttpm? -149.32 115.33 5.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.982 -0.554 . . . . 1.0 109.999 178.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -60.63 148.5 38.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.22 0.533 . . . . 1.0 111.322 -175.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -153.5 81.88 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.28 -0.873 . . . . 1.0 109.877 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.17 -169.83 40.42 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.43 -1.068 . . . . 1.0 110.43 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -56.19 -17.43 7.32 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.988 -0.285 . . . . 1.0 111.071 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.4 m -98.37 141.49 31.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.772 0.32 . . . . 1.0 110.544 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -107.08 87.07 2.42 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.001 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.9 pt -91.22 159.78 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.571 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.42 ' O ' ' OG ' ' A' ' 81' ' ' SER . 36.5 p90 -146.45 -172.51 3.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.701 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 80' ' ' TYR . 17.5 m -167.94 -160.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.434 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 81' ' ' SER . 16.1 mt -59.28 -149.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.669 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -157.31 -18.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.798 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -171.34 168.95 6.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.324 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.0 pt -77.46 0.58 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.725 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -79.73 -30.26 40.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.771 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.4 t -66.93 -43.61 89.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.917 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.15 -39.43 82.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.011 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.574 ' HG1' ' N ' ' A' ' 90' ' ' MET . 80.4 p -75.78 -46.75 29.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.06 -178.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' MET . . . . . 0.574 ' N ' ' HG1' ' A' ' 89' ' ' THR . 1.0 OUTLIER -46.2 -54.33 8.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.895 -178.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.5 tp -61.84 -46.07 91.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.034 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -61.43 -63.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.358 . . . . 1.0 110.841 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -42.31 -28.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.423 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.46 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -71.91 -66.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.866 -0.334 . . . . 1.0 110.759 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.7 mm -50.6 -13.26 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.612 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.46 ' H ' ' C ' ' A' ' 94' ' ' ALA . 7.9 t60 -73.16 -56.98 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.726 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -60.84 -21.29 63.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.726 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -42.46 -52.84 4.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.171 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 99' ' ' ASN . 26.7 t-20 -159.15 16.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.494 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 47.12 71.21 1.67 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.648 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 103' ' ' GLU . 98.6 Cg_exo -44.8 170.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.73 2.287 . . . . 1.0 112.387 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -50.84 -15.61 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.627 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 101' ' ' PRO . 69.7 mt-10 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.968 -1.015 . . . . 1.0 110.59 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.455 ' C ' ' H ' ' B' ' 11' ' ' ASP . 14.3 m120 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.251 -0.648 . . . . 1.0 109.251 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.6 p -49.3 -14.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.455 ' H ' ' C ' ' B' ' 9' ' ' ASN . 39.7 t0 -79.95 -61.62 1.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.329 179.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 51.7 p -51.62 -17.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.351 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 tp -71.5 -57.56 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.351 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' B' ' 17' ' ' THR . 5.7 tp10 -49.18 -17.63 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.764 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -75.29 -64.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 1.0 111.035 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 13.3 m -49.92 -20.29 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.036 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 81.7 p -76.14 -29.56 57.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 1.0 110.451 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -70.74 -17.06 62.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.582 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.7 -46.69 93.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.356 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -67.86 -62.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.804 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.415 ' C ' ' H ' ' B' ' 23' ' ' LEU . 65.2 mttm -46.89 -30.58 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.607 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.49 7.32 1.89 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.866 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.415 ' H ' ' C ' ' B' ' 21' ' ' LYS . 6.2 tp -130.74 15.3 5.35 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.11 0.481 . . . . 1.0 109.795 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . 0.629 ' N ' HH21 ' B' ' 28' ' ' ARG . . . -91.1 70.3 2.03 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' B' ' 24' ' ' GLY . 55.7 m-20 -161.33 112.09 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.016 0.436 . . . . 1.0 110.57 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -43.23 -60.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.806 -0.633 . . . . 1.0 111.479 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.565 HD21 ' H ' ' B' ' 27' ' ' ASN . 0.6 OUTLIER -56.84 -30.36 63.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.734 -176.403 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.629 HH21 ' N ' ' B' ' 24' ' ' GLY . 25.7 ttp180 -72.02 -42.38 66.43 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.922 -0.311 . . . . 1.0 111.29 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 95.8 mt -58.17 -31.27 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.983 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.0 -34.47 57.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.032 0.444 . . . . 1.0 110.188 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.41 -32.3 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.36 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 6.8 mmt -74.33 -32.08 62.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.478 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.425 ' O ' ' OG ' ' B' ' 36' ' ' SER . 54.5 tt0 -57.09 -35.6 69.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.465 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' B' ' 37' ' ' VAL . 13.6 tp -70.81 -51.88 23.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.419 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 49.7 mt -48.14 -23.07 0.75 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.31 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' B' ' 33' ' ' GLU . 17.4 p -78.53 -38.11 41.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.281 178.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 34' ' ' LEU . 55.4 t -82.65 -50.73 15.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.79 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 31.2 t -163.74 144.54 8.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.973 0.416 . . . . 1.0 111.251 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.58 165.98 13.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.661 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.528 ' O ' ' CZ ' ' B' ' 80' ' ' TYR . . . -156.07 156.01 33.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.567 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -94.82 178.07 5.7 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.88 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.66 -58.68 6.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.946 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.83 -37.11 89.88 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.266 -0.733 . . . . 1.0 111.266 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -75.49 -42.82 51.98 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.154 0.428 . . . . 1.0 112.154 -176.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 tp -72.47 -16.32 18.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.404 -0.518 . . . . 1.0 110.546 -177.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.434 ' O ' ' O ' ' B' ' 50' ' ' ASN . 50.8 m -63.69 -66.69 0.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.867 -0.333 . . . . 1.0 111.122 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -55.43 -16.25 3.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.946 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -88.07 3.19 49.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.018 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.47 -67.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.544 -0.462 . . . . 1.0 110.817 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 52' ' ' SER . 40.3 t30 -119.5 148.4 43.32 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.942 0.401 . . . . 1.0 110.838 -177.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' B' ' 51' ' ' LEU . 1.2 mm? -80.88 -61.62 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.316 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.522 ' O ' ' ND2' ' B' ' 50' ' ' ASN . 31.2 t -59.27 131.18 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.844 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.456 ' N ' ' CD ' ' B' ' 53' ' ' GLN . 19.4 mp0 -80.64 -37.86 30.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.635 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 16.9 t -54.56 -28.68 47.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.963 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -73.48 -46.06 50.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.621 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.22 -40.1 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.602 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.3 t -52.68 -32.7 43.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.319 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.406 ' O ' ' ND1' ' B' ' 58' ' ' HIS . 21.8 t-80 -74.71 -33.86 62.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.81 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -68.29 -58.91 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.863 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.8 mt -50.06 -27.97 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.568 -0.287 . . . . 1.0 110.74 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -76.63 -47.11 23.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.505 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 61.1 tp -48.81 -46.53 41.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.103 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.3 -25.92 64.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.523 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -75.03 -10.2 59.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.018 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' B' ' 66' ' ' VAL . 60.7 p -63.17 -61.33 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.888 -0.596 . . . . 1.0 111.074 -179.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.421 ' N ' ' OG ' ' B' ' 65' ' ' SER . 4.9 t -66.77 -71.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.911 -177.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.12 18.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.449 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 mt -103.14 149.55 24.52 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.023 -0.362 . . . . 1.0 110.023 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.531 ' H ' ' CG ' ' B' ' 83' ' ' ASP . 5.4 t 64.98 141.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.137 -177.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -135.15 174.83 10.17 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.121 -0.49 . . . . 1.0 109.895 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.05 116.86 3.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.96 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -98.27 150.94 21.0 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.315 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -81.61 118.55 22.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.002 0.429 . . . . 1.0 110.633 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -153.02 107.48 3.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 79.81 -166.38 50.43 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -77.39 30.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.716 0.293 . . . . 1.0 110.657 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.478 ' H ' ' C ' ' B' ' 75' ' ' GLY . 37.3 m -158.73 174.15 15.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.583 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 19.1 mmt -113.03 116.03 29.28 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.31 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 10.5 tp -87.05 152.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 110.136 -0.32 . . . . 1.0 110.136 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.528 ' CZ ' ' O ' ' B' ' 40' ' ' ALA . 23.1 p90 -142.97 172.32 12.85 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.716 0.293 . . . . 1.0 110.431 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 27.3 t -169.04 -161.16 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.973 0.416 . . . . 1.0 111.095 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 17.6 tp -58.64 147.41 32.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.687 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . 0.531 ' CG ' ' H ' ' B' ' 69' ' ' VAL . 5.0 m-20 -63.95 -95.86 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.684 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -100.72 -88.69 0.36 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.433 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.425 ' C ' ' H ' ' B' ' 87' ' ' VAL . 13.7 tt -174.77 -29.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.554 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -68.0 0.96 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.729 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.425 ' H ' ' C ' ' B' ' 85' ' ' ILE . 6.9 m -85.42 -33.27 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.226 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.52 -41.55 93.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.274 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 52.8 p -65.82 -36.5 83.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.312 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 3.6 mmt -67.69 -33.78 75.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.297 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.3 tp -63.88 -58.34 7.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.735 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.432 ' CG ' ' H ' ' B' ' 93' ' ' GLN . 8.3 ptmm? -64.48 -54.29 34.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.77 -178.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.432 ' H ' ' CG ' ' B' ' 92' ' ' LYS . 1.4 tm0? -43.88 -30.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.164 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.21 -69.36 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 1.0 111.168 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 13.4 tt -53.91 -18.64 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.908 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -76.82 -48.36 18.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.526 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -61.47 -11.4 10.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.597 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.68 -77.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.309 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -84.54 68.99 10.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.49 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.585 ' N ' ' CD ' ' B' ' 101' ' ' PRO . 21.2 t60 -76.03 -35.0 1.56 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 1.0 112.246 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' B' ' 100' ' ' HIS . 47.0 Cg_endo -89.47 176.98 2.86 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.079 1.853 . . . . 1.0 112.466 -177.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' B' ' 103' ' ' GLU . 47.6 pttt -157.81 51.51 0.44 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.546 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' B' ' 102' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.066 -0.969 . . . . 1.0 110.314 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.6 t -86.12 -37.24 18.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.742 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 12' ' ' THR . 44.0 p30 -71.13 -21.17 62.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.647 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.607 ' HG1' HH21 ' A' ' 15' ' ' ARG . 71.0 m -76.52 -58.17 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.532 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.83 -33.93 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.303 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -70.04 -49.26 53.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.982 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.607 HH21 ' HG1' ' A' ' 12' ' ' THR . 85.0 mtm180 -62.41 -58.1 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.41 -177.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.6 m -45.61 -12.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 1.0 111.404 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 15' ' ' ARG . 10.8 m -88.25 -38.34 15.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.81 0.338 . . . . 1.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -76.9 -26.12 53.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.755 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 10.6 tp -60.74 -40.66 85.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.601 -0.44 . . . . 1.0 110.471 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.493 ' C ' ' H ' ' A' ' 22' ' ' ALA . 70.5 m-85 -65.4 -63.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.455 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -49.49 -11.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.076 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' H ' ' C ' ' A' ' 20' ' ' PHE . . . -54.42 -38.26 66.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.084 -178.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 7.2 mp -70.48 -80.97 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 1.0 110.287 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.86 -116.5 4.26 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.406 -0.677 . . . . 1.0 111.406 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.484 ' CG ' HD22 ' A' ' 27' ' ' ASN . 18.8 p30 -59.3 163.77 3.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.03 0.443 . . . . 1.0 111.259 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -87.32 -23.34 24.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.81 -0.632 . . . . 1.0 111.945 -177.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.484 HD22 ' CG ' ' A' ' 25' ' ' ASP . 0.2 OUTLIER -70.91 -41.13 71.64 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.869 -0.332 . . . . 1.0 111.77 -175.693 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.01 -48.23 71.85 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.814 -0.355 . . . . 1.0 110.954 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.4 tt -60.75 -19.37 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.824 -0.351 . . . . 1.0 110.538 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -70.69 -30.72 67.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.069 0.461 . . . . 1.0 109.947 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.0 mt -67.53 -29.24 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.054 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.7 mmt -69.82 -31.26 69.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.369 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.17 -64.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.306 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.07 -54.63 15.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.158 0.504 . . . . 1.0 109.694 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.48 -47.71 38.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.365 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.8 t -43.77 -39.92 4.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.915 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.1 t -61.53 -63.53 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.45 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.45 ' HG ' ' N ' ' A' ' 39' ' ' GLU . 14.3 t -148.76 152.74 37.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.779 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.45 ' N ' ' HG ' ' A' ' 38' ' ' SER . 35.2 mt-10 -50.01 159.01 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.299 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' ' CZ ' ' A' ' 80' ' ' TYR . . . -157.23 143.54 17.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.787 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.2 p -97.34 170.25 9.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.325 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.0 t -45.62 -49.18 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.62 -44.68 96.64 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 121.254 -0.498 . . . . 1.0 112.201 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -68.43 -36.63 79.33 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.385 0.513 . . . . 1.0 112.385 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.5 pt -69.57 -23.6 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.286 -0.565 . . . . 1.0 110.64 -177.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 50' ' ' ASN . 10.1 t -49.97 -41.0 45.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 1.0 110.665 179.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -53.76 -11.33 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.713 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.428 ' H ' ' C ' ' A' ' 46' ' ' SER . 7.9 tp-100 -79.94 -57.4 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.931 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.2 mt -107.48 -29.54 9.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.45 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 46' ' ' SER . 7.9 t-20 64.09 34.17 11.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.935 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 mt -97.49 -157.41 0.59 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.305 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t -74.77 136.12 41.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.565 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -67.24 -18.11 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.685 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.1 t -79.86 -27.15 40.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.644 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -75.45 -44.29 45.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.885 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.0 m -68.37 -38.19 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.751 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 20.2 p -59.51 -65.65 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.572 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -41.58 -34.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 1.0 111.138 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -67.59 -52.58 36.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.713 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 tp -45.37 -30.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.692 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -71.37 -40.62 70.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.909 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.18 -43.12 96.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.904 -178.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.14 -24.43 65.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.477 -0.328 . . . . 1.0 110.912 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -67.52 -20.68 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.543 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.516 ' C ' ' H ' ' A' ' 67' ' ' HIS . 75.7 m -63.31 -57.87 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.794 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.6 m -69.39 9.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.51 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.516 ' H ' ' C ' ' A' ' 65' ' ' SER . 1.4 m-70 54.37 18.84 2.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.679 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.7 tp -65.22 -13.42 58.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.108 0.48 . . . . 1.0 110.011 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -151.14 179.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.221 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.472 ' NZ ' ' CB ' ' A' ' 70' ' ' LYS . 8.8 mtmp? -143.79 174.01 11.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.147 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.75 159.79 40.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.617 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -148.49 161.34 41.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.247 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 51.5 ttt85 -97.25 146.22 25.32 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.192 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 75' ' ' GLY . 19.9 tt0 -150.44 77.91 1.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.4 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 76' ' ' GLN . . . 31.84 103.02 0.01 OUTLIER Glycine 0 CA--C 1.526 0.776 0 CA-C-N 115.635 -0.711 . . . . 1.0 112.823 177.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 24.3 tp60 88.02 -60.1 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 122.704 0.402 . . . . 1.0 111.29 176.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.1 p -115.42 150.51 36.29 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.874 0.368 . . . . 1.0 110.699 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -113.75 98.86 7.29 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.268 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.529 ' N ' ' CD1' ' A' ' 79' ' ' ILE . 1.7 mp -78.24 162.14 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.159 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.45 ' N ' ' CG2' ' A' ' 79' ' ' ILE . 11.2 p90 -149.62 174.68 12.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.358 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 m -162.3 -169.72 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.638 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.408 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 9.2 mp -61.4 -106.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.354 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -159.05 -95.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.019 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -96.4 -75.23 0.54 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.188 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -178.16 -26.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.018 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -54.64 -62.29 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.462 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.5 m -45.38 -34.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.235 -176.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.55 -52.62 54.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 1.0 110.815 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.415 ' OG1' ' OE1' ' B' ' 93' ' ' GLN . 52.3 p -57.63 -39.95 78.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.89 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.5 ttm -45.64 -46.65 14.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.762 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.5 tp -57.56 -44.6 85.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.19 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.54 -61.27 2.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.274 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -44.93 -20.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.589 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -72.99 -64.26 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.968 -178.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.493 ' CD1' ' N ' ' A' ' 95' ' ' ILE . 1.6 mp -61.97 -5.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.633 -0.506 . . . . 1.0 109.633 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.409 ' H ' ' C ' ' A' ' 94' ' ' ALA . 4.2 t60 -75.63 -47.48 26.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.516 178.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -61.14 -60.59 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.463 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.26 -31.55 6.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.627 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.526 ' O ' ' CD2' ' A' ' 100' ' ' HIS . 51.3 t30 -79.69 59.97 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.915 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 99' ' ' ASN . 25.8 m170 -156.7 67.25 4.28 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.314 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -46.32 161.52 0.16 Allowed 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.639 2.226 . . . . 1.0 112.297 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -172.34 92.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.416 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.06 -0.972 . . . . 1.0 110.494 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 63.8 p -52.9 -23.11 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.581 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -71.73 -63.73 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.704 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.0 t -61.66 -28.82 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.77 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.0 tp -52.73 -59.03 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.57 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.409 ' O ' ' OG1' ' B' ' 17' ' ' THR . 7.5 pt-20 -67.11 -19.64 65.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.244 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -65.85 -20.81 66.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.653 -0.419 . . . . 1.0 110.052 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 95.7 t -67.06 -23.6 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.334 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 72.4 p -86.03 -31.52 21.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.621 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.03 -37.38 87.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.429 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 20.2 pt -76.92 -32.42 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.205 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -70.1 -60.63 2.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.165 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -52.28 -21.85 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.509 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.16 -27.47 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.993 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -73.31 -72.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.613 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.22 -105.9 1.17 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.33 -0.708 . . . . 1.0 111.33 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -47.17 143.24 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 1.0 110.984 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.515 ' CE1' ' OD1' ' B' ' 27' ' ' ASN . 18.3 p90 -79.1 -27.59 42.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.682 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.515 ' OD1' ' CE1' ' B' ' 26' ' ' TYR . 5.2 m120 -56.22 -34.32 66.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.558 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -67.26 -24.25 65.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.696 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 44.6 mm -77.05 -29.21 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.899 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -67.24 -31.66 72.16 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.182 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.412 HD13 HG22 ' B' ' 31' ' ' ILE . 8.3 mm -65.27 -45.57 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.185 179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 34.6 ttm -56.94 -39.86 75.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.733 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.402 ' O ' ' OG ' ' B' ' 36' ' ' SER . 76.4 tt0 -59.32 -35.31 73.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.644 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.86 -60.93 2.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.279 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 mt -50.02 -21.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.55 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.455 ' OG ' ' N ' ' B' ' 37' ' ' VAL . 14.0 p -68.36 -57.43 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.903 0.382 . . . . 1.0 110.4 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.455 ' N ' ' OG ' ' B' ' 36' ' ' SER . 19.8 t -55.8 -40.58 62.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.383 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 52.7 p -170.04 147.17 3.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.407 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 14.3 mp0 -62.53 164.59 7.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 1.0 110.638 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.13 142.48 17.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.418 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.503 ' OG ' ' CD2' ' B' ' 44' ' ' HIS . 62.4 p -83.93 -177.25 6.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.539 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.46 -60.92 2.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.741 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.89 -25.31 9.39 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.472 -0.651 . . . . 1.0 111.472 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.503 ' CD2' ' OG ' ' B' ' 41' ' ' SER . 17.5 m170 -75.27 -11.62 60.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.066 -0.253 . . . . 1.0 111.192 -178.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 9.3 tp -70.47 -26.11 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.968 0.413 . . . . 1.0 110.846 -178.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -57.69 -17.38 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.13 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -78.98 -24.92 43.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.304 . . . . 1.0 110.751 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.5 ' NE2' ' N ' ' B' ' 48' ' ' GLN . 3.3 mp0 -88.52 -57.71 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.925 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 15.0 mt -98.16 -47.78 5.35 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.252 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 61.26 63.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.921 -0.399 . . . . 1.0 109.921 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 17.4 tp -134.71 -70.91 0.49 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.595 -177.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 70.6 m -157.43 133.06 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.47 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -74.67 -41.19 60.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 1.0 110.629 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.7 m -57.7 -34.51 69.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.664 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -63.63 -43.4 96.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.463 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 85.2 t -70.81 -35.84 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.901 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.439 ' HG ' ' N ' ' B' ' 58' ' ' HIS . 19.1 p -59.18 -34.83 72.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 1.0 110.551 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.439 ' N ' ' HG ' ' B' ' 57' ' ' SER . 3.8 m-70 -78.98 -34.89 43.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.763 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -75.79 -51.11 13.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.93 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.28 -34.84 34.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.02 0.438 . . . . 1.0 110.04 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -67.85 -35.57 78.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.911 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.09 -27.43 69.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.397 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.9 mt -79.33 -23.78 43.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.615 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -66.35 -31.84 72.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.543 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.433 ' C ' ' H ' ' B' ' 67' ' ' HIS . 89.5 p -51.6 -60.76 2.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.49 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.424 ' O ' ' CG2' ' B' ' 66' ' ' VAL . 2.6 p -67.2 0.31 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.254 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.433 ' H ' ' C ' ' B' ' 65' ' ' SER . 41.8 m80 55.5 21.39 4.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.859 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 37.0 tp -59.24 -13.04 6.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.175 0.512 . . . . 1.0 109.739 178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -147.73 177.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.116 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -154.38 132.69 11.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.489 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.83 156.72 17.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.418 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -118.25 139.2 51.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.096 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -88.75 128.31 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.341 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -152.67 88.58 1.35 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.255 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.13 -153.4 32.3 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -81.92 9.44 8.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.548 0.213 . . . . 1.0 110.906 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 53.0 m -129.45 150.12 50.94 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.924 0.392 . . . . 1.0 110.52 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -119.71 148.37 43.47 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.222 179.806 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 77.6 mt -124.28 147.66 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.11 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -118.53 150.05 40.29 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.623 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 13.4 m -159.17 -171.38 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.281 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 22.0 mt -74.22 158.68 33.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.494 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -66.66 -49.4 66.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.622 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -157.29 -164.55 1.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.346 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 16.4 pt -86.99 9.86 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.802 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -81.06 -73.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.708 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.0 m -45.97 -21.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.013 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.49 -61.48 2.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.716 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 71.3 m -62.65 -24.48 67.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.768 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' B' ' 90' ' ' MET . 8.5 tmm? -64.2 -57.52 9.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.428 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 30.0 tp -49.59 -40.81 40.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.43 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.22 -60.84 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.415 ' OE1' ' OG1' ' A' ' 89' ' ' THR . 8.4 tt0 -49.47 -20.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.07 -177.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.37 -67.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.735 0.303 . . . . 1.0 110.811 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.5 tt -52.02 -15.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.338 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -74.27 -42.03 60.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.437 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -65.54 -18.3 65.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.357 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.54 -72.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.494 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -76.28 102.2 5.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.344 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -160.91 58.8 1.05 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.534 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.88 148.43 35.88 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.593 2.196 . . . . 1.0 112.209 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -78.04 106.19 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.302 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.969 -1.015 . . . . 1.0 110.665 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.506 ' CG ' ' H ' ' A' ' 10' ' ' THR . 7.5 p30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.265 -0.643 . . . . 1.0 109.265 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.506 ' H ' ' CG ' ' A' ' 9' ' ' ASN . 64.0 p -78.31 -31.08 48.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.447 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -80.92 -18.49 46.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.45 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.8 m -76.61 -67.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.676 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.46 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 7.8 mp -50.4 -23.2 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 1.0 109.917 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -65.68 -55.73 15.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.403 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.5 ttm105 -66.61 -46.05 77.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.758 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.0 t -49.8 -16.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.764 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.2 m -91.71 -33.15 15.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.548 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -81.21 -20.46 41.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.156 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.463 ' CG2' ' N ' ' A' ' 20' ' ' PHE . 18.2 tt -59.35 -45.82 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.841 -0.343 . . . . 1.0 110.446 -179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.463 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 72.7 m-85 -70.22 -52.34 23.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.356 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -43.54 -35.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.289 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.57 -25.2 67.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.306 -0.407 . . . . 1.0 111.394 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.519 ' CD1' ' N ' ' A' ' 23' ' ' LEU . 7.0 mp -93.04 20.17 7.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.347 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.68 -55.47 6.6 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -46.71 109.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 1.0 110.77 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -50.0 -42.22 48.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.186 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 24.1 p30 -67.02 -30.3 70.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.356 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.513 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 37.8 ttm180 -72.02 -44.64 63.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.455 -177.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.7 pt -67.53 -24.04 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.642 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -68.96 -29.17 67.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.668 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 mm -65.91 -66.45 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.767 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -43.87 -39.71 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.071 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.428 ' O ' ' OG ' ' A' ' 36' ' ' SER . 32.0 tt0 -53.38 -48.61 68.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.656 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.0 tp -57.49 -49.09 77.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.18 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.413 ' CD1' ' N ' ' A' ' 35' ' ' LEU . 9.7 mp -63.23 -8.02 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.467 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.525 ' OG ' ' N ' ' A' ' 37' ' ' VAL . 6.5 p -74.33 -61.67 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.428 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.525 ' N ' ' OG ' ' A' ' 36' ' ' SER . 18.1 t -63.81 -40.94 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.392 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 m -159.34 134.57 8.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.19 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 3.8 mp0 -49.2 175.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.374 . . . . 1.0 110.693 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.3 137.4 12.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.363 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.425 ' O ' ' CD1' ' A' ' 45' ' ' ILE . 90.0 p -84.62 -162.51 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.63 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.1 t -80.66 -64.73 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.61 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.01 -44.45 95.88 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.172 -0.537 . . . . 1.0 111.832 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -48.32 -28.06 2.91 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.758 -0.26 . . . . 1.0 111.45 -177.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' GLN . 86.8 mt -75.65 -34.64 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.885 -0.326 . . . . 1.0 110.932 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -44.43 -39.29 4.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.706 0.288 . . . . 1.0 111.111 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.625 ' HD1' ' N ' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -75.56 -19.85 59.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.919 -178.786 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' ILE . 86.3 mm-40 -77.74 -57.36 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.0 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -86.79 -7.33 58.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.87 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.419 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 1.7 m-20 50.59 79.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.213 -178.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 tp -172.32 -153.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.1 p -84.48 153.31 23.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.808 0.337 . . . . 1.0 110.293 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.54 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 3.5 pm0 -82.31 -17.36 46.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.894 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.9 p -76.55 -25.58 54.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.633 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.434 ' O ' ' OE1' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -62.3 -44.11 97.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.886 -179.177 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -77.15 -33.25 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.731 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 p -54.27 -33.81 59.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.415 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 61' ' ' LYS . 38.3 m-70 -74.78 -54.13 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.823 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.618 ' NE2' ' N ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -47.26 -42.33 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.219 -179.067 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.87 -19.48 61.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.552 -0.294 . . . . 1.0 110.772 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' HIS . 78.2 tttt -68.8 -42.41 77.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 1.0 110.347 179.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.86 -55.12 33.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.202 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 mt -48.98 -34.58 13.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.741 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -58.88 -34.58 71.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.535 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.9 t -71.58 -52.02 20.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.536 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.0 t -67.36 -9.88 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.418 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.463 ' C ' ' N ' ' A' ' 69' ' ' VAL . 47.2 m-70 59.85 10.04 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.973 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.8 tp -47.6 -17.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.98 0.419 . . . . 1.0 110.231 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.463 ' N ' ' C ' ' A' ' 67' ' ' HIS . 33.7 m -147.87 -178.93 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.377 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -130.76 174.02 10.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.209 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.47 159.34 38.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.332 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -137.08 147.04 45.84 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.381 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -90.88 133.6 35.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.492 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -149.33 102.6 3.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.186 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 70.46 -165.77 51.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.458 -1.057 . . . . 1.0 110.458 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.82 14.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 1.0 110.539 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.506 ' H ' ' C ' ' A' ' 75' ' ' GLY . 44.6 t -120.6 136.14 54.9 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.373 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.482 ' SD ' ' OH ' ' A' ' 80' ' ' TYR . 16.6 ttt -97.91 99.61 10.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.24 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.401 HG23 HD12 ' A' ' 79' ' ' ILE . 10.4 mm -81.5 152.45 4.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.063 0.459 . . . . 1.0 111.008 -178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.482 ' OH ' ' SD ' ' A' ' 78' ' ' MET . 70.7 m-85 -133.21 149.67 52.01 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.749 -0.659 . . . . 1.0 109.952 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 m -159.56 -171.35 3.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.515 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 8.6 mp -83.66 178.13 8.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.145 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -79.14 -105.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.342 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -107.92 -65.85 1.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.012 0.434 . . . . 1.0 110.256 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.7 tt -170.01 -24.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.573 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -49.4 -34.08 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.602 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.6 m -77.1 -40.19 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.752 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.06 -61.51 2.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.649 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 34.3 m -47.84 -38.3 15.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.794 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.1 ttt -55.54 -42.63 74.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.746 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.5 tp -60.75 -51.3 69.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.436 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -60.78 -61.37 2.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.815 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' B' ' 86' ' ' HIS . 45.0 tt0 -39.61 -33.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.701 -178.138 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.35 -66.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.319 . . . . 1.0 111.076 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.6 mm -54.83 -15.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.755 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -76.32 -38.49 55.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.865 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.515 ' O ' ' NE2' ' A' ' 100' ' ' HIS . 63.7 t60 -80.96 -20.13 42.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.9 -179.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.33 -70.69 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.826 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.511 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 5.6 m120 -73.96 150.44 40.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.056 -178.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.515 ' NE2' ' O ' ' A' ' 97' ' ' HIS . 81.8 m-70 -160.42 67.3 2.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.413 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -46.55 -69.95 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.829 2.352 . . . . 1.0 112.654 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 62.3 tttm 51.11 94.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.541 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.968 -1.015 . . . . 1.0 110.541 179.788 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.442 ' C ' ' H ' ' B' ' 11' ' ' ASP . 17.6 t-20 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.46 -0.571 . . . . 1.0 109.46 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.6 m -47.48 -16.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.593 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' B' ' 9' ' ' ASN . 5.2 m-20 -78.18 -39.38 40.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.511 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -61.8 -34.37 75.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.568 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' B' ' 13' ' ' LEU . 7.0 mp -70.8 -25.28 62.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.07 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -76.39 -37.5 57.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.722 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . 0.432 HH22 HD22 ' A' ' 99' ' ' ASN . 56.8 mtm180 -67.84 -57.04 6.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.914 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 29.5 m -46.28 -35.17 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.706 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 15.0 m -62.74 -39.19 93.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.755 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -63.09 -30.35 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.725 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 mm -71.09 -31.26 44.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.059 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -80.94 -65.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.531 -0.304 . . . . 1.0 111.29 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -48.03 -25.76 1.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.705 -0.398 . . . . 1.0 110.807 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.24 -28.6 69.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.935 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 mt -80.68 0.09 35.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.616 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.44 179.84 0.05 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.85 121.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.84 0.352 . . . . 1.0 110.579 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -67.81 -11.17 57.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.805 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -70.62 -43.54 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.939 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -73.04 -22.58 60.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.948 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 5.9 mm -73.27 -36.64 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.986 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -77.05 -34.61 57.18 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.905 -0.318 . . . . 1.0 110.953 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.38 -25.71 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.301 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 30.6 tpp -74.97 -30.09 61.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.504 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.431 ' O ' ' OG ' ' B' ' 36' ' ' SER . 70.7 mt-10 -59.79 -35.46 74.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.487 179.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.469 ' CD2' ' N ' ' B' ' 34' ' ' LEU . 3.4 mm? -67.0 -55.04 16.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.324 179.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.74 -13.49 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.764 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' B' ' 37' ' ' VAL . 11.8 p -81.64 -59.49 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.857 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.485 ' N ' ' OG ' ' B' ' 36' ' ' SER . 32.1 m -67.18 -38.49 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.031 -178.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.456 ' HG ' ' N ' ' B' ' 39' ' ' GLU . 28.1 t -169.45 147.73 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.863 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.456 ' N ' ' HG ' ' B' ' 38' ' ' SER . 12.3 pt-20 -69.65 164.31 23.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.614 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.2 153.37 29.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.439 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.487 ' HG ' ' CG ' ' B' ' 44' ' ' HIS . 87.8 p -93.18 169.61 10.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.355 179.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 93.6 t -56.19 -55.55 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.965 0.412 . . . . 1.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.1 -37.48 92.89 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.731 -0.747 . . . . 1.0 111.288 -178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.487 ' CG ' ' HG ' ' B' ' 41' ' ' SER . 0.5 OUTLIER -72.94 -39.35 66.29 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.329 0.492 . . . . 1.0 112.329 -175.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 20.9 tt -76.48 -16.06 14.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.469 -0.492 . . . . 1.0 110.968 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.406 ' O ' ' N ' ' B' ' 50' ' ' ASN . 91.0 p -60.48 -28.0 68.01 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.701 -0.4 . . . . 1.0 110.497 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -70.28 -13.5 62.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.482 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -89.56 -54.1 4.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.358 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' B' ' 49' ' ' LEU . 3.4 mm? -77.34 -37.29 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.043 -0.355 . . . . 1.0 110.043 178.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' B' ' 46' ' ' SER . 44.9 t-20 56.61 67.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.385 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' B' ' 52' ' ' SER . 15.3 tp -174.15 107.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.336 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.43 ' C ' ' O ' ' B' ' 51' ' ' LEU . 41.8 t 5.61 112.71 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.729 1.268 . . . . 1.0 113.934 -177.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -38.76 -38.82 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.657 -0.702 . . . . 1.0 111.641 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 17.3 t -44.08 -32.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.924 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -68.11 -42.83 79.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.843 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 89.8 t -74.31 -40.6 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.969 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 18.7 m -49.25 -35.03 16.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.951 0.405 . . . . 1.0 110.386 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -74.77 -58.15 3.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.875 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -42.4 -57.57 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.386 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' B' ' 60' ' ' LEU . 7.6 mp -59.74 -22.91 62.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.931 -178.194 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -68.75 -40.76 79.66 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.69 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 9.9 mp -64.34 -48.11 76.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.486 -0.324 . . . . 1.0 110.196 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 16.1 mt -56.36 -35.55 67.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -55.07 -41.06 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.759 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 25.1 p -63.22 -51.89 64.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.601 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.6 t -66.73 -5.84 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.482 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 27.0 m80 57.37 13.01 1.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.799 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.68 -15.45 4.53 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.459 -0.571 . . . . 1.0 109.459 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.4 m -153.11 -173.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.893 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -155.95 174.79 14.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 1.0 110.854 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -147.55 169.48 19.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.056 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -148.88 160.28 43.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.917 0.389 . . . . 1.0 110.915 -178.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -91.41 138.46 31.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.894 -0.594 . . . . 1.0 109.646 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -152.91 89.2 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 1.0 110.689 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 69.95 56.6 7.92 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 54.26 7.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.311 . . . . 1.0 110.628 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' SER . . . . . 0.522 ' H ' ' C ' ' B' ' 75' ' ' GLY . 8.5 t -113.68 109.61 18.86 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.428 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' MET . . . . . 0.418 ' SD ' ' N ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -86.33 137.99 32.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.409 179.548 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.8 pt -138.83 160.78 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.077 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -118.11 147.85 42.89 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.918 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 56.5 m -153.41 -177.97 6.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.059 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.1 179.39 7.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.84 0.352 . . . . 1.0 110.507 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.6 -69.24 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.179 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -146.03 -71.54 0.25 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.976 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 pt -155.25 -35.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.451 -0.34 . . . . 1.0 110.405 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.515 ' O ' ' NE2' ' A' ' 93' ' ' GLN . 14.7 m170 -47.82 -47.04 31.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.619 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.46 -46.44 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.649 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.93 -46.43 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.866 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 8.6 m -62.36 -31.3 71.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.571 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 55.1 ttm -61.41 -31.28 71.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.553 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.36 -46.45 76.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.336 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' B' ' 92' ' ' LYS . 3.3 mptp? -72.5 -62.57 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.396 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -37.35 -35.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.752 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.77 -66.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.66 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.8 mm -59.74 -10.86 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.58 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -76.43 -47.16 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.935 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -77.73 -12.39 59.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.78 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.15 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.518 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -79.96 142.36 35.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.233 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -162.03 61.65 1.28 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.77 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -77.93 -175.54 2.75 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.671 2.248 . . . . 1.0 111.92 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -162.17 -41.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.56 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 . . . . . 0 C--O 1.219 -0.553 0 CA-C-O 118.098 -0.953 . . . . 1.0 110.497 -179.933 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 9' ' ' ASN . 8.9 p-10 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.1 m -45.44 -24.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.864 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.18 -36.39 77.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.993 0.425 . . . . 1.0 110.439 179.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' GLU . 70.2 p -72.55 -54.6 8.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.605 -179.887 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.5 tp -39.98 -26.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.084 -179.074 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' THR . 51.5 mt-10 -80.39 -47.17 14.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.56 179.177 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' THR . 49.8 mtm180 -73.89 -21.36 60.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.037 -178.566 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 76.8 t -71.87 -28.59 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.903 -178.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.2 t -91.48 -31.31 16.02 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.667 0.27 . . . . 1.0 110.957 -179.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.53 -15.44 62.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.495 -0.32 . . . . 1.0 111.024 -178.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 20' ' ' PHE . 13.5 tt -68.42 -41.98 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 1.0 110.619 -179.214 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.408 ' N ' ' CG2' ' A' ' 19' ' ' ILE . 45.0 m-85 -74.6 -55.61 5.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.03 -178.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -46.09 -40.64 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.036 -178.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.82 -21.48 4.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.852 -178.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -95.83 13.53 26.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.868 -179.147 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.27 70.97 1.81 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -165.82 107.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.752 0.31 . . . . 1.0 110.26 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 27.4 p90 -43.63 -44.93 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.073 -179.266 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.537 ' N ' ' CD2' ' A' ' 26' ' ' TYR . 3.9 t-20 -52.24 -32.58 37.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.953 -179.392 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.409 ' HE ' ' NE2' ' A' ' 59' ' ' GLN . 12.3 tpp85 -75.79 -52.05 11.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.401 -177.556 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.472 ' CD1' ' H ' ' A' ' 29' ' ' ILE . 1.9 mp -46.2 -40.35 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.895 -0.322 . . . . 1.0 110.501 -177.199 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.523 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 26.9 ttm105 -72.33 -33.11 67.1 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.717 -0.393 . . . . 1.0 111.083 -177.769 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.9 mt -72.65 -39.14 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.368 178.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 9.6 ttt -64.34 -39.06 93.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.701 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' OG ' ' A' ' 36' ' ' SER . 34.5 tt0 -57.71 -33.98 68.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.993 0.425 . . . . 1.0 110.354 179.509 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.439 ' C ' ' H ' ' A' ' 36' ' ' SER . 2.2 tt -67.7 -65.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.369 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.7 mt -47.36 -16.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.73 -178.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 34' ' ' LEU . 5.5 p -69.88 -50.67 40.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.356 . . . . 1.0 110.187 178.906 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.1 t -66.31 -61.58 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.474 179.109 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.6 m -147.0 154.14 40.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.827 -178.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 13.7 mp0 -62.48 168.26 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.702 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.12 144.6 18.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.536 179.534 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 m -81.41 168.71 18.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.254 178.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -54.76 -56.81 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.794 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.29 -34.42 87.96 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.698 -0.561 . . . . 1.0 111.698 -177.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 7.1 t-80 -59.44 -26.88 65.57 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.749 -0.381 . . . . 1.0 110.819 -178.181 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.4 mt -74.33 -23.11 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.884 -179.055 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 50' ' ' ASN . 63.6 m -56.63 -11.84 1.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.925 -0.31 . . . . 1.0 111.306 -178.071 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.668 ' HD1' ' N ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -92.77 -17.29 24.35 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.829 0.347 . . . . 1.0 110.785 -178.865 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.668 ' N ' ' HD1' ' A' ' 47' ' ' HIS . 59.5 tt0 -72.67 -56.0 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.03 -178.019 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.2 tp -161.28 -33.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.407 -178.77 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 46' ' ' SER . 4.3 m120 -83.17 168.09 17.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.168 179.012 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -150.63 32.08 0.64 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.098 0.475 . . . . 1.0 110.983 -177.748 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.8 t -149.2 97.59 2.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.346 177.413 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -50.37 -22.04 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.137 -178.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -80.29 -37.64 32.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.107 -178.592 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -68.9 -41.72 77.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.246 -177.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.3 m -72.78 -31.12 35.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.909 -0.316 . . . . 1.0 110.8 -178.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.4 m -58.51 -66.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 1.0 110.437 179.211 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' A' ' 58' ' ' HIS . 2.5 m-70 -45.59 -35.19 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.409 ' NE2' ' HE ' ' A' ' 28' ' ' ARG . 41.3 tt0 -66.15 -63.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.709 -179.168 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.2 mt -48.67 -24.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.693 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -70.24 -38.02 75.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.686 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.63 -32.94 73.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.163 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.4 mp -73.41 -24.88 60.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.264 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -62.06 -34.39 76.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.55 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.1 t -69.13 -31.14 69.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.505 179.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 t -78.87 3.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 7.7 m80 67.49 10.45 7.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.466 178.005 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.431 ' O ' ' OD2' ' A' ' 83' ' ' ASP . 66.8 mt -75.93 -112.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.431 179.459 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.9 m -46.56 164.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 1.0 110.898 -179.107 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -151.77 142.07 22.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.008 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.85 141.07 36.28 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.923 0.392 . . . . 1.0 110.851 -178.278 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -102.28 129.4 48.69 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.186 178.296 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -82.23 114.39 20.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.851 -179.655 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 76' ' ' GLN . 92.8 mt-30 -122.75 134.85 54.43 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.182 179.319 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.69 70.61 0.02 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.178 -0.769 . . . . 1.0 111.178 -179.309 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 74' ' ' GLN . 9.2 pt20 174.68 -57.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.492 -0.559 . . . . 1.0 109.492 177.913 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.555 ' HG ' ' H ' ' A' ' 78' ' ' MET . 7.9 t -154.26 179.46 8.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.799 -179.425 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.555 ' H ' ' HG ' ' A' ' 77' ' ' SER . 10.2 ptt? -114.2 144.64 42.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.145 179.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.0 pt -138.94 161.84 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.234 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -122.83 156.5 34.43 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.181 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 42.3 t -158.97 -166.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.503 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.426 ' N ' ' OG ' ' A' ' 81' ' ' SER . 20.6 mt -78.99 162.14 26.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.797 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 68' ' ' LEU . 1.2 m-20 -79.68 -63.22 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.575 179.858 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.532 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 19.7 t0 -165.22 -165.65 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.2 -179.384 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.532 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 26.8 pt -76.83 26.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.3 . . . . 1.0 110.931 -179.255 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.473 ' H ' ' C ' ' A' ' 84' ' ' ASP . 11.4 m-70 -111.83 -36.76 5.33 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.863 0.363 . . . . 1.0 110.415 -179.665 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.9 p -86.54 -36.11 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.802 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.11 -38.57 91.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.857 -178.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.5 p -76.53 -33.49 58.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.696 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 42.9 ttp -69.15 -35.62 76.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.873 -178.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.8 tp -64.72 -52.45 57.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.3 -179.553 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.96 -57.0 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.831 -179.22 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -43.42 -27.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.05 -178.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.45 -66.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 1.0 110.681 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.1 mt -57.23 -27.75 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.396 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -55.88 -51.18 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.485 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.433 ' O ' ' NE2' ' A' ' 100' ' ' HIS . 73.5 t60 -51.76 -59.82 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.559 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.72 -56.75 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.691 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.603 ' ND2' ' H ' ' A' ' 100' ' ' HIS . 3.0 t-20 -73.1 161.03 31.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.711 -179.505 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.603 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 90.2 m-70 -155.1 72.18 5.71 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.493 -179.367 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -84.16 137.46 7.28 Favored 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.752 2.301 . . . . 1.0 112.302 -178.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -150.91 138.57 19.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.361 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.067 -0.968 . . . . 1.0 110.365 -179.857 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m120 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.403 -0.591 . . . . 1.0 109.403 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 75.4 p -84.82 -25.89 27.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.536 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -66.44 -35.64 80.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.443 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.5 p -76.09 -46.0 31.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.816 -179.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 18.0 tp -52.79 -16.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.365 -179.19 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.21 -44.77 12.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.332 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.53 -49.69 76.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.294 -178.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 15.1 m -47.11 -20.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.968 -177.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 8.6 p -91.31 -39.0 12.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.794 0.331 . . . . 1.0 110.841 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -68.53 -22.65 64.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.669 -176.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 pt -73.1 -29.25 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.612 -0.435 . . . . 1.0 110.91 -178.621 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -76.26 -63.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.324 . . . . 1.0 110.851 -179.672 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -49.74 -23.67 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.875 -179.205 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.3 -31.1 42.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.235 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 pp -119.06 39.13 3.62 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.71 0.29 . . . . 1.0 110.937 -178.636 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.49 -72.32 0.78 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.124 -0.79 . . . . 1.0 111.124 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -45.27 140.84 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 1.0 110.825 -179.351 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -66.19 -11.03 47.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.88 -178.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -84.08 -44.21 14.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 1.0 111.152 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -29.86 67.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.593 -178.306 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 14.0 tt -79.73 -27.73 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.902 -0.319 . . . . 1.0 111.108 -178.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -71.15 -32.9 69.52 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.06 -0.256 . . . . 1.0 111.022 -178.431 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 19.3 pt -74.76 -29.76 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.062 179.252 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' B' ' 32' ' ' MET . 0.6 OUTLIER -71.8 -40.24 69.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.293 179.041 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -58.48 -35.16 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.806 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 28.7 tp -66.22 -41.88 89.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.475 -179.241 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 36.5 mt -69.15 -9.45 52.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -80.47 -42.43 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.356 . . . . 1.0 110.247 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' B' ' 38' ' ' SER . 60.1 t -81.39 -37.01 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.716 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' B' ' 37' ' ' VAL . 74.5 m -168.54 152.25 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.788 -179.559 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -70.65 161.58 30.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.785 -179.905 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.19 147.38 20.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.634 -179.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.4 m -82.06 165.95 20.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.526 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 46.2 t -54.28 -55.59 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.915 -179.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.58 -26.9 67.22 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.057 -0.817 . . . . 1.0 111.057 -179.11 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' HIS . . . . . 0.431 ' ND1' ' O ' ' B' ' 44' ' ' HIS . 62.1 t-80 -72.99 -20.58 61.0 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.057 -0.257 . . . . 1.0 111.053 -178.802 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 93.8 mt -84.69 -27.87 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.6 0.238 . . . . 1.0 110.688 -179.645 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.529 ' HG ' ' N ' ' B' ' 47' ' ' HIS . 93.5 p -48.22 -44.36 33.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 1.0 110.864 -179.008 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' HIS . . . . . 0.529 ' N ' ' HG ' ' B' ' 46' ' ' SER . 3.8 t60 -57.88 -15.15 7.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.875 -179.147 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -84.0 -49.8 8.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.59 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 71.9 mt -137.29 49.19 2.02 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.499 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' B' ' 46' ' ' SER . 64.1 t30 39.81 -123.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.644 177.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.455 ' H ' ' CG ' ' B' ' 50' ' ' ASN . 10.6 mp 48.36 -168.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.651 -0.499 . . . . 1.0 109.651 -178.018 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 63.7 m -151.75 176.23 11.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.01 0.433 . . . . 1.0 111.054 -178.284 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.433 ' O ' ' OG ' ' B' ' 57' ' ' SER . 9.9 tt0 -46.87 -37.09 8.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.604 -0.726 . . . . 1.0 111.3 -178.687 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.0 p -54.86 -54.42 42.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 1.0 111.035 -178.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -75.82 -40.15 55.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.141 -178.262 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.79 -42.18 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.363 -177.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' B' ' 53' ' ' GLN . 89.9 p -61.68 -29.89 70.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 1.0 110.594 -179.403 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -43.65 32.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.252 179.196 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.25 -47.8 80.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.43 179.038 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -35.47 64.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.327 -179.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -58.86 -31.98 69.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.98 -44.3 69.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.49 ' CD1' ' N ' ' B' ' 63' ' ' LEU . 7.7 mp -61.48 -35.45 77.68 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.103 -0.332 . . . . 1.0 110.103 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -55.44 -46.04 76.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.578 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.409 ' C ' ' H ' ' B' ' 67' ' ' HIS . 10.3 t -53.0 -47.94 67.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.604 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.3 t -62.22 -6.12 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.332 179.685 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . 0.493 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 56.5 t-80 61.67 14.7 6.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.294 -179.73 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tp -79.11 -13.46 59.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.538 -179.276 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 56.1 t -141.9 159.94 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 120.883 0.373 . . . . 1.0 110.75 -178.816 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -138.51 152.91 48.67 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.123 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.71 119.74 39.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.865 0.364 . . . . 1.0 110.683 -178.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -97.51 119.89 36.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.311 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 63.8 mtt85 -80.0 110.88 15.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.552 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -137.33 93.18 2.78 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.118 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.43 -155.57 53.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.519 -1.032 . . . . 1.0 110.519 -178.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -73.42 -8.18 54.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 1.0 110.631 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 90.3 p -97.37 133.84 41.44 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.764 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 75.4 mtp -97.94 91.04 5.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.258 178.831 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 44.7 mt -82.54 145.05 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.986 0.422 . . . . 1.0 110.888 -178.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -120.47 153.78 36.15 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.01 178.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 13.2 m -161.15 -166.54 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.703 -179.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 22.2 mt -78.55 166.06 23.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.518 -179.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.42 -42.04 17.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.981 -179.42 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -158.31 -81.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.774 0.321 . . . . 1.0 111.538 -178.358 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 18.5 pt -158.51 -34.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.44 -179.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -50.67 -31.08 15.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.817 -178.139 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 6.9 t -65.13 -45.65 93.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.741 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.06 -60.4 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.969 -178.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 72.6 p -45.75 -22.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.057 -178.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 90' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' B' ' 90' ' ' MET . 1.6 tmt? -74.38 -65.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.749 -178.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.5 tp -49.99 -30.69 11.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.948 -178.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . 0.481 ' HZ1' ' CD2' ' B' ' 96' ' ' HIS . 55.2 tttm -66.58 -69.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.151 -178.429 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -53.45 -17.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.651 -176.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.36 -64.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 1.0 110.856 -179.02 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 69.9 mt -56.01 -18.25 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.496 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 96' ' ' HIS . . . . . 0.481 ' CD2' ' HZ1' ' B' ' 92' ' ' LYS . 0.7 OUTLIER -76.92 -35.96 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.852 -179.521 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -61.59 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.529 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -43.01 -76.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.807 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 99' ' ' ASN . 0.9 OUTLIER -81.29 125.75 30.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.306 178.624 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -163.64 67.78 1.62 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.7 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -49.17 -69.0 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.788 2.325 . . . . 1.0 112.484 -179.489 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -168.57 153.17 6.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.485 -179.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.982 -1.009 . . . . 1.0 110.556 -179.788 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.844 0.354 . . . . 2.3100000000000001 110.626 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -63.29 -43.09 98.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 2.8100000000000001 110.618 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.935 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.3 p -63.15 -51.24 67.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 2.0299999999999998 110.579 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 13' ' ' LEU . 2.9 tp -52.27 -34.52 46.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.9299999999999999 110.594 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.95 -39.72 69.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 2.9199999999999999 110.607 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.459 ' C ' ' N ' ' A' ' 17' ' ' THR . 1.7 ttm180 -68.27 -49.69 58.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 3.3199999999999998 110.593 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.935 HG23 ' O ' ' A' ' 12' ' ' THR . 2.6 t -47.14 -16.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 1.3899999999999999 110.574 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.459 ' N ' ' C ' ' A' ' 15' ' ' ARG . 96.1 m -91.34 -36.8 13.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 1.5700000000000001 110.604 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.76 -27.76 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 2.79 110.575 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 3.2 mt -56.35 -64.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 1.55 110.61 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.632 ' O ' ' N ' ' A' ' 23' ' ' LEU . 89.2 m-85 -50.61 -64.26 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 1.71 110.622 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 23' ' ' LEU . 12.8 tttt -37.45 -46.04 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 2.98 110.607 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -56.5 -3.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 1.1899999999999999 110.619 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.676 ' O ' ' O ' ' A' ' 24' ' ' GLY . 30.8 mt -110.42 -8.19 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 1.8200000000000001 110.558 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.676 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -33.86 -107.66 0.0 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.922 -0.871 . . . . 2.1499999999999999 110.922 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.644 ' C ' ' O ' ' A' ' 24' ' ' GLY . 23.8 m-20 -16.3 123.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 2.3399999999999999 110.606 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' ILE . 3.7 p90 -74.36 -34.88 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 4.3799999999999999 110.591 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.655 HD21 ' CD2' ' A' ' 49' ' ' LEU . 56.2 t-20 -41.69 -39.3 1.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 2.3700000000000001 110.61 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.648 ' CZ ' HD21 ' A' ' 63' ' ' LEU . 9.8 ttm180 -74.84 -35.91 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 4.2699999999999996 110.649 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' TYR . 5.1 mm -50.33 -43.5 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 1.79 110.579 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 1.059 HH21 HD11 ' A' ' 49' ' ' LEU . 8.3 ttp180 -63.66 -48.01 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 3.4100000000000001 110.624 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.3 mt -53.96 -35.86 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 1.1499999999999999 110.587 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -36.77 83.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 2.52 110.601 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -64.73 -35.68 81.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 2.2200000000000002 110.617 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.007 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -64.56 -55.69 18.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 1.9399999999999999 110.583 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.55 -35.0 67.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 1.8400000000000001 110.597 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.4 t -54.69 -50.65 67.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 1.6100000000000001 110.617 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.09 -41.25 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 1.46 110.625 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.25 134.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 1.6899999999999999 110.62 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.496 ' H ' ' HG2' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -45.65 169.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 2.5299999999999998 110.554 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -159.79 151.26 19.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.93000000000000005 110.604 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -86.58 172.61 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 1.3799999999999999 110.58 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.3 -65.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.5800000000000001 110.614 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.24 -31.19 62.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.848 -0.901 . . . . 0.95999999999999996 110.848 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -61.46 -43.32 99.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.348 . . . . 2.8999999999999999 110.59 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' SER . 14.3 mt -62.81 -32.14 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 1.8799999999999999 110.604 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 1.167 ' O ' ' CA ' ' A' ' 50' ' ' ASN . 17.5 t -39.14 -36.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 1.8600000000000001 110.641 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 48' ' ' GLN . 1.0 OUTLIER -58.69 -61.58 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 3.6600000000000001 110.628 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -36.19 -72.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 2.6200000000000001 110.645 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.059 HD11 HH21 ' A' ' 30' ' ' ARG . 0.8 OUTLIER -105.0 -17.81 14.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 2.6099999999999999 110.61 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 1.167 ' CA ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER 47.46 169.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 5.2000000000000002 110.554 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 1.056 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 1.2 mp 136.87 -117.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 3.1499999999999999 110.606 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.509 ' H ' ' HB3' ' A' ' 51' ' ' LEU . 39.5 t -121.38 125.72 47.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 2.04 110.561 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -54.2 -35.62 62.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 2.7200000000000002 110.618 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.66 -27.33 62.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 1.9299999999999999 110.571 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -74.14 -41.7 61.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 2.4500000000000002 110.65 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.54 -46.22 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 1.8500000000000001 110.652 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.8 p -53.8 -46.65 71.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 1.52 110.559 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.32 -48.58 73.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 2.5600000000000001 110.568 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.709 ' O ' ' N ' ' A' ' 62' ' ' LEU . 1.1 tt0 -60.98 -69.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 2.5 110.641 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.816 ' CD2' ' CE2' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -35.85 -29.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 1.6599999999999999 110.596 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 59' ' ' GLN . 22.3 tttp -72.0 -30.83 65.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 2.8700000000000001 110.615 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.709 ' N ' ' O ' ' A' ' 59' ' ' GLN . 1.1 tp -73.02 -47.06 48.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 2.2200000000000002 110.584 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.653 ' HB2' HG21 ' A' ' 69' ' ' VAL . 7.9 mt -63.56 -24.54 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 1.4199999999999999 110.587 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -70.75 -23.93 62.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 2.1499999999999999 110.631 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.8 t -78.63 -25.86 45.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 1.8899999999999999 110.639 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.643 ' O ' ' HB2' ' A' ' 67' ' ' HIS . 3.7 t -83.12 -17.95 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 1.6100000000000001 110.567 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.643 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER 80.83 25.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 3.4199999999999999 110.619 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.77 -26.46 17.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 2.0600000000000001 110.608 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -121.51 165.31 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 1.6699999999999999 110.608 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.2 130.43 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 2.79 110.611 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.31 148.17 30.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 1.1599999999999999 110.569 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -133.06 159.0 41.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 3.7000000000000002 110.619 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -98.42 135.87 39.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 4.0800000000000001 110.62 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -149.09 86.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 2.3199999999999998 110.591 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.93 -108.03 2.94 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.848 -0.901 . . . . 1.97 110.848 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -125.76 11.05 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 4.0199999999999996 110.613 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -130.04 131.49 45.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 1.8 110.614 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.534 ' H ' ' HG3' ' A' ' 78' ' ' MET . 0.0 OUTLIER -87.6 117.02 26.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 3.1000000000000001 110.598 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -100.52 142.1 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 1.77 110.623 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.816 ' CE2' ' CD2' ' A' ' 60' ' ' LEU . 24.9 m-85 -106.69 -173.98 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 3.6600000000000001 110.611 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.728 ' HB3' ' O ' ' A' ' 80' ' ' TYR . 0.3 OUTLIER 160.4 160.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 1.3300000000000001 110.599 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 82' ' ' LEU . 1.7 mt -54.33 170.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 2.0499999999999998 110.619 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.658 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 41.1 t0 -89.03 -48.52 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 3.02 110.61 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.658 ' OD1' ' O ' ' A' ' 83' ' ' ASP . 75.0 m-20 -148.94 -151.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 2.4300000000000002 110.568 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.447 ' H ' ' HB3' ' A' ' 84' ' ' ASP . 1.5 pt -103.39 8.74 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 2.2799999999999998 110.595 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -83.19 -39.54 20.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.22 110.607 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -41.5 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 1.76 110.578 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.34 -58.53 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.93000000000000005 110.573 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.528 ' OG1' ' OE1' ' B' ' 93' ' ' GLN . 3.6 p -54.63 -56.02 23.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 1.6899999999999999 110.628 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' THR . 0.8 OUTLIER -38.43 -59.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 2.3799999999999999 110.651 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.644 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 7.0 tp -48.75 -49.07 40.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.77 110.626 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.662 ' O ' ' N ' ' A' ' 94' ' ' ALA . 15.2 mttm -59.78 -76.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 3.0699999999999998 110.63 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.497 ' C ' ' O ' ' A' ' 92' ' ' LYS . 0.6 OUTLIER -31.59 -29.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 2.3700000000000001 110.6 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.662 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -63.0 -57.78 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.72999999999999998 110.572 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 92' ' ' LYS . 2.4 mm -64.3 -23.72 34.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 1.7 110.569 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -70.41 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 2.77 110.624 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -49.47 -42.37 42.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.80000000000000004 110.619 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.85 -46.91 86.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 1.0800000000000001 110.586 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 2.5699999999999998 110.628 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 78.1 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.759 0.314 . . . . 2.46 110.574 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -55.22 37.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 2.6400000000000001 110.615 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.562 ' O ' HG23 ' B' ' 16' ' ' VAL . 80.6 p -58.3 -51.18 70.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 2.1200000000000001 110.603 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' B' ' 13' ' ' LEU . 1.0 OUTLIER -45.72 -48.06 15.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 1.8600000000000001 110.608 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.588 ' O ' ' OG1' ' B' ' 17' ' ' THR . 9.0 tt0 -57.6 -39.34 76.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 2.6299999999999999 110.593 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.938 ' O ' ' N ' ' B' ' 17' ' ' THR . 4.0 mtm-85 -64.78 -73.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 3.9500000000000002 110.594 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.576 ' C ' ' O ' ' B' ' 15' ' ' ARG . 0.1 OUTLIER -24.84 -25.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 1.5900000000000001 110.566 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.938 ' N ' ' O ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -82.01 -40.36 22.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 1.6100000000000001 110.595 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.77 ' N ' ' O ' ' B' ' 15' ' ' ARG . 1.5 tt0 -63.93 -26.76 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 2.73 110.572 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.803 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 1.5 mt -59.47 -64.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 1.73 110.618 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.649 ' O ' ' N ' ' B' ' 22' ' ' ALA . 74.0 m-85 -49.75 -74.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 1.5700000000000001 110.586 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -35.53 -23.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 2.8999999999999999 110.633 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.803 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -71.12 -3.86 22.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 1.03 110.574 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.935 ' O ' ' O ' ' B' ' 24' ' ' GLY . 6.2 mt -114.26 -10.29 12.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 1.74 110.601 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.935 ' O ' ' O ' ' B' ' 23' ' ' LEU . . . -18.88 -122.23 0.0 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.883 -0.887 . . . . 1.8899999999999999 110.883 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.782 ' O ' ' O ' ' B' ' 24' ' ' GLY . 70.4 m-20 -12.76 139.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 2.1600000000000001 110.629 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.951 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 0.0 OUTLIER -81.86 -26.33 34.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 4.2699999999999996 110.623 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.664 ' H ' ' HD1' ' B' ' 26' ' ' TYR . 11.9 t30 -46.49 -40.55 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 2.5299999999999998 110.588 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -73.78 -45.07 53.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 3.1499999999999999 110.596 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 6.2 mt -46.51 -33.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 1.46 110.638 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.67 -45.29 53.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 3.0899999999999999 110.607 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 84.1 mt -55.53 -36.86 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 1.0800000000000001 110.585 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' MET . . . . . 0.718 ' HE3' HD23 ' B' ' 68' ' ' LEU . 0.0 OUTLIER -67.94 -44.07 77.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 2.5 110.635 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.622 ' O ' HG23 ' B' ' 37' ' ' VAL . 11.6 tt0 -59.15 -28.27 66.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 2.1099999999999999 110.625 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 1.324 HD12 ' O ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -74.6 -39.33 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 2.04 110.588 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 63.6 mt -71.26 -35.78 71.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 1.47 110.637 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.499 ' HA ' HD11 ' B' ' 82' ' ' LEU . 0.2 OUTLIER -57.59 -47.42 82.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 1.8400000000000001 110.592 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.622 HG23 ' O ' ' B' ' 33' ' ' GLU . 7.0 t -64.54 -42.35 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.6599999999999999 110.585 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.9 t -171.18 138.99 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 1.45 110.606 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.495 ' H ' ' HG2' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -55.5 165.53 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 2.48 110.631 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.83 152.13 22.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.80000000000000004 110.598 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.03 -176.29 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 1.5800000000000001 110.63 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 t -68.43 -55.25 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 1.5 110.602 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.474 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -63.49 -38.93 97.08 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -54.14 -42.11 69.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 3.1200000000000001 110.599 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.585 ' O ' ' N ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -59.27 -36.1 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 2.1499999999999999 110.586 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.768 ' O ' ' HA ' ' B' ' 50' ' ' ASN . 73.0 p -40.69 -34.79 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 1.72 110.612 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -30.03 70.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 3.5 110.638 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 1.012 ' HA ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -64.87 -77.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 3.0099999999999998 110.601 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' B' ' 50' ' ' ASN . 13.9 mt -92.84 -21.7 19.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 2.5299999999999998 110.612 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 1.042 ' O ' ' HG ' ' B' ' 51' ' ' LEU . 27.7 t-20 54.8 130.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 4.54 110.633 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 1.042 ' HG ' ' O ' ' B' ' 50' ' ' ASN . 1.5 mt 166.24 -130.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 2.9199999999999999 110.604 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.58 ' O ' ' HB2' ' B' ' 55' ' ' ASN . 0.4 OUTLIER -106.46 120.41 41.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 2.0099999999999998 110.58 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.404 ' H ' ' HG3' ' B' ' 53' ' ' GLN . 10.3 mt-30 -47.06 -42.1 18.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 2.7400000000000002 110.622 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' B' ' 58' ' ' HIS . 7.2 p -53.4 -29.27 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 1.51 110.597 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.58 ' HB2' ' O ' ' B' ' 52' ' ' SER . 0.9 OUTLIER -68.96 -46.75 67.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 2.3999999999999999 110.589 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 37.8 t -67.73 -50.77 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 1.3100000000000001 110.562 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -27.6 39.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 1.5600000000000001 110.606 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' B' ' 54' ' ' SER . 3.4 t-80 -73.32 -54.07 9.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 3.1000000000000001 110.624 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' B' ' 62' ' ' LEU . 1.0 OUTLIER -63.38 -54.27 39.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 2.1899999999999999 110.603 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.721 ' CD2' ' CE2' ' B' ' 80' ' ' TYR . 11.9 tp -43.81 -21.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.77 110.612 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' B' ' 59' ' ' GLN . 13.7 ttmt -78.6 -35.66 45.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 2.6499999999999999 110.569 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' B' ' 59' ' ' GLN . 17.1 mt -65.05 -46.82 79.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 2.1099999999999999 110.633 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.414 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . 1.5 mt -62.87 -19.21 63.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 1.71 110.591 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -79.05 -21.32 47.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 2.3900000000000001 110.577 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.0 t -73.94 -26.63 60.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 1.5900000000000001 110.592 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.906 ' O ' ' HB2' ' B' ' 67' ' ' HIS . 2.0 t -85.96 -24.76 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 1.72 110.585 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.906 ' HB2' ' O ' ' B' ' 66' ' ' VAL . 44.7 m80 92.61 6.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 3.5 110.569 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.718 HD23 ' HE3' ' B' ' 32' ' ' MET . 0.1 OUTLIER -66.5 -34.93 79.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 2.1600000000000001 110.601 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -116.95 168.33 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 1.6499999999999999 110.597 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -146.84 148.32 31.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 2.9300000000000002 110.573 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.3 153.75 30.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.03 110.566 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -136.62 169.14 18.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 3.1699999999999999 110.626 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 73' ' ' ARG . 24.7 mtt180 -112.44 135.18 53.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 4.0999999999999996 110.627 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.14 82.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 2.2200000000000002 110.645 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' B' ' 76' ' ' GLN . . . 83.28 -86.75 1.49 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.87 -0.892 . . . . 2.0899999999999999 110.87 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' B' ' 75' ' ' GLY . 25.1 mt-30 -148.34 10.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 3.1200000000000001 110.648 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.17 126.42 50.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 1.8999999999999999 110.624 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -82.66 107.81 15.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 2.8100000000000001 110.622 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.63 143.01 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 1.8999999999999999 110.594 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.721 ' CE2' ' CD2' ' B' ' 60' ' ' LEU . 25.5 m-85 -113.71 153.97 28.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 2.9399999999999999 110.57 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.88 172.75 15.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 1.48 110.576 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' B' ' 36' ' ' SER . 15.8 mt -65.44 172.6 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 1.79 110.603 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.21 -42.56 13.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 3.48 110.617 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.47 ' HB3' ' H ' ' B' ' 85' ' ' ILE . 9.3 m-20 -162.93 -146.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 3.0600000000000001 110.592 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.47 ' H ' ' HB3' ' B' ' 84' ' ' ASP . 0.8 OUTLIER -107.35 15.74 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 2.1899999999999999 110.599 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -91.43 -43.67 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 2.02 110.561 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.449 ' H ' HG22 ' B' ' 87' ' ' VAL . 0.0 OUTLIER -64.21 -44.64 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.71 110.586 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.47 -54.45 26.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.89000000000000001 110.588 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -54.94 41.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 1.5600000000000001 110.612 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.3 ttt -42.42 -59.15 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 1.96 110.616 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 5.2 tp -50.5 -44.98 56.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 1.72 110.594 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -61.78 -73.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 2.9700000000000002 110.632 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.528 ' OE1' ' OG1' ' A' ' 89' ' ' THR . 0.4 OUTLIER -33.67 -46.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 2.52 110.609 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -46.86 -64.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.76000000000000001 110.62 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' ILE . . . . . 0.44 ' O ' ' CG2' ' B' ' 95' ' ' ILE . 0.9 OUTLIER -62.12 -12.91 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 1.6499999999999999 110.616 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.97 -46.93 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 2.4399999999999999 110.608 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -72.37 -44.16 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 1.01 110.627 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.64 -43.87 72.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 1.4399999999999999 110.595 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 37.9 t30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 3.3300000000000001 110.58 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.2 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.887 0.375 . . . . 1.0 110.581 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.0 -54.22 7.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.464 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -60.69 -23.25 64.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.516 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.4 -65.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.505 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.428 ' O ' ' OE1' ' A' ' 18' ' ' GLU . 40.1 mm-40 -51.08 -26.77 6.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.389 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -63.49 -33.12 74.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 1.0 110.36 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.0 t -51.31 -27.3 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.401 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.517 ' O ' ' N ' ' A' ' 19' ' ' ILE . 43.7 p -73.8 -63.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.363 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.567 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 2.2 mp0 -37.54 -25.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.616 -177.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' THR . 58.2 mt -57.9 -49.18 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.395 -0.522 . . . . 1.0 110.358 179.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -68.9 -56.69 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.991 0.424 . . . . 1.0 110.746 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -50.41 -36.48 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.521 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.88 17.0 20.58 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.616 -0.265 . . . . 1.0 111.622 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 23' ' ' LEU . 1.1 tt -75.7 -48.44 21.94 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.479 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.98 151.88 5.83 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -82.15 178.31 8.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 1.0 110.629 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -41.41 -67.97 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.974 -0.557 . . . . 1.0 111.534 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -49.6 -26.68 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.398 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.413 ' NH2' ' CD ' ' A' ' 59' ' ' GLN . 20.5 mmt180 -75.66 -21.24 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.809 -0.356 . . . . 1.0 110.771 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.2 mm -71.55 -36.19 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.376 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.6 ttt85 -64.96 -29.6 70.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.344 . . . . 1.0 110.394 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.4 mt -78.59 -41.73 25.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.493 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.4 ttt -52.25 -32.47 37.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.355 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -71.26 -38.56 71.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.29 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -63.23 -62.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.282 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.0 mt -46.5 -32.5 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.727 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 p -60.37 -33.37 72.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 1.0 110.352 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.8 t -77.71 -38.86 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.776 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -173.49 153.57 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.0 111.037 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.27 164.7 26.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.596 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.4 158.95 36.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.912 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.457 ' OG ' ' CG ' ' A' ' 44' ' ' HIS . 93.3 p -88.41 166.71 14.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.529 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 t -56.3 -55.05 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.977 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.73 -35.03 91.49 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.381 -0.688 . . . . 1.0 111.381 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.457 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 1.4 m80 -73.12 -39.25 65.91 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.69 0.256 . . . . 1.0 111.69 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.85 -13.74 12.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.757 0.313 . . . . 1.0 110.757 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.3 m -54.48 -37.73 65.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.9 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.31 -12.59 61.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.888 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -60.62 -57.47 12.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.334 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tt -173.53 56.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 52' ' ' SER . 7.6 m120 -156.25 -13.85 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.433 -0.348 . . . . 1.0 110.938 -178.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.611 HD22 ' H ' ' A' ' 51' ' ' LEU . 3.0 mm? 41.93 -89.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.849 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 50' ' ' ASN . 90.1 p -55.04 132.77 47.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.404 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -63.28 -47.29 82.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.113 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 p -45.11 -27.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.386 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -68.28 -43.45 77.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.425 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.4 t -74.59 -38.94 46.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.981 -0.288 . . . . 1.0 111.16 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.9 t -59.15 -60.82 3.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.759 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -53.82 -41.31 67.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.901 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.413 ' CD ' ' NH2' ' A' ' 28' ' ' ARG . 38.1 tp60 -67.13 -54.55 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.289 -178.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.5 tp -52.11 -27.09 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.878 -177.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -68.41 -39.67 81.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.613 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.27 -35.65 79.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.63 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.2 mt -74.1 -32.74 63.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -64.98 -21.44 66.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.849 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.456 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 30.8 p -60.42 -60.93 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.767 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.534 ' O ' HG22 ' A' ' 66' ' ' VAL . 3.3 p -69.27 -1.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.647 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 65' ' ' SER . 6.6 m170 66.55 23.26 10.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.782 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 tp -73.38 -13.51 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.856 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.7 t -135.33 155.42 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.927 -0.578 . . . . 1.0 110.179 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.437 ' CB ' ' NZ ' ' A' ' 70' ' ' LYS . 9.2 mtmp? -124.88 172.82 9.06 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.184 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.69 153.16 26.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.506 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.7 pttt -149.12 161.53 41.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.317 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -93.44 135.71 34.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.3 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -153.08 112.98 3.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.489 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.65 58.6 8.95 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.21 -0.756 . . . . 1.0 111.21 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 54.45 12.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.554 0.216 . . . . 1.0 111.285 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.5 t -123.4 133.58 54.07 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.865 0.364 . . . . 1.0 110.418 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.562 ' N ' ' SD ' ' A' ' 78' ' ' MET . 1.9 mpt? -93.25 99.15 11.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.82 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.7 mt -101.57 148.68 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.45 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.487 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 8.6 p90 -146.35 -177.42 5.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.008 0.433 . . . . 1.0 110.899 -178.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.7 p -172.25 -159.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.369 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 83' ' ' ASP . 17.7 mt -86.63 168.13 13.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.81 0.338 . . . . 1.0 110.303 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 26.0 t0 -60.98 -123.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.232 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 2.8 m-20 -86.82 -145.96 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.795 0.331 . . . . 1.0 110.632 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 pt -94.68 6.54 7.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.436 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.437 ' C ' ' N ' ' A' ' 88' ' ' ALA . 20.9 m170 -71.86 -83.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.971 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.4 m -45.98 -18.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.615 -0.266 . . . . 1.0 110.849 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.437 ' N ' ' C ' ' A' ' 86' ' ' HIS . . . -69.32 -62.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.932 0.396 . . . . 1.0 110.715 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.8 m -58.11 -48.77 79.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.515 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.571 ' N ' ' SD ' ' A' ' 90' ' ' MET . 0.0 OUTLIER -53.07 -26.93 17.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.333 179.514 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 91' ' ' LEU . 3.4 tt -59.24 -59.18 5.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.108 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -63.69 -55.51 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.928 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -49.59 -29.73 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.324 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.85 -63.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 1.0 110.73 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.4 tt -59.29 -12.53 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.576 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -80.0 -50.3 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.453 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -62.56 -13.1 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.465 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.43 ' O ' ' OD1' ' A' ' 99' ' ' ASN . . . -75.13 -22.63 58.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.674 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 98' ' ' ALA . 35.8 m-20 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.098 -0.501 . . . . 1.0 109.922 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 120.934 0.397 . . . . 1.0 110.484 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -37.8 -34.59 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.677 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 16.8 p -53.81 -67.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.62 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.584 ' N ' HD12 ' B' ' 13' ' ' LEU . 8.8 mp -67.07 -53.6 29.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.427 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -41.31 -26.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.425 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' B' ' 13' ' ' LEU . 47.9 ttt85 -80.73 -39.96 26.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 1.0 110.454 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' B' ' 13' ' ' LEU . 43.9 t -59.07 -37.51 68.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.572 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.41 ' H ' HG23 ' B' ' 17' ' ' THR . 3.8 p -76.17 -25.14 54.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.434 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -68.81 -17.52 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.314 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 82.5 mt -68.45 -58.03 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.94 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -59.48 -66.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.158 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -45.19 -34.25 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.523 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.428 ' O ' ' NH2' ' B' ' 28' ' ' ARG . . . -63.27 -22.23 66.74 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.088 -0.245 . . . . 1.0 111.188 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 37.3 mt -72.98 2.95 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.285 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.82 -155.99 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 51.39 93.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 1.0 110.489 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -50.24 -63.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.992 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -43.61 -33.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.552 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.428 ' NH2' ' O ' ' B' ' 22' ' ' ALA . 40.4 ttp180 -71.21 -40.99 70.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.337 . . . . 1.0 110.937 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.58 -27.55 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.558 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 mmm-85 -64.36 -27.85 69.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.53 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.661 ' N ' HD12 ' B' ' 31' ' ' ILE . 1.7 mp -73.99 -27.27 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 177.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 12.8 tpt -69.68 -48.6 59.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.633 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLU . . . . . 0.415 ' O ' ' OG ' ' B' ' 36' ' ' SER . 9.1 tm-20 -54.15 -31.58 52.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.519 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' B' ' 36' ' ' SER . 0.9 OUTLIER -67.23 -61.75 1.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.347 -179.586 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 39.1 mt -56.89 -5.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.004 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.438 ' H ' ' C ' ' B' ' 34' ' ' LEU . 9.9 p -81.55 -50.85 8.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.748 0.309 . . . . 1.0 110.632 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 6.5 p -76.3 -29.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.669 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.3 p -178.7 145.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.42 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -57.0 169.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.512 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.37 151.84 25.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.73 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.473 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 26.1 p -90.23 164.16 14.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.42 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -53.45 -57.66 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.001 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.23 -45.58 93.93 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.302 -0.719 . . . . 1.0 111.302 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.473 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 2.6 m-70 -50.98 -40.2 57.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.713 0.292 . . . . 1.0 111.071 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.482 ' C ' ' H ' ' B' ' 47' ' ' HIS . 85.8 mt -69.62 -35.59 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.583 -177.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.424 ' O ' ' O ' ' B' ' 50' ' ' ASN . 44.1 t -53.59 -6.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.98 -0.288 . . . . 1.0 111.601 -176.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.482 ' H ' ' C ' ' B' ' 45' ' ' ILE . 54.0 t-80 -91.87 -10.78 38.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 1.0 110.936 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.401 ' OE1' HD12 ' B' ' 34' ' ' LEU . 22.4 mt-30 -85.03 -58.36 2.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.555 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 97.0 mt -145.76 -39.34 0.24 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.684 0.278 . . . . 1.0 110.483 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' B' ' 46' ' ' SER . 65.0 m-80 -74.82 130.28 39.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.004 -177.154 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.586 HD12 ' N ' ' B' ' 51' ' ' LEU . 7.1 mp -85.3 -58.97 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.515 -0.55 . . . . 1.0 109.515 178.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 29.8 p -80.37 149.79 30.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.163 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.428 ' N ' ' OE1' ' B' ' 53' ' ' GLN . 2.4 mm100 -77.47 -17.0 58.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.844 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 95.9 p -80.08 -19.3 47.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.869 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -69.38 -47.89 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.977 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.9 p -78.01 -34.43 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.73 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.9 t -57.49 -67.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.371 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -45.58 -43.23 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.634 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -63.56 -38.77 92.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.695 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.46 -31.8 73.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.435 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -65.13 -34.47 78.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.557 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' B' ' 62' ' ' LEU . 31.4 mt -58.61 -41.9 86.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.572 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.65 -30.77 67.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.23 -39.03 85.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.594 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -65.35 -34.3 78.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.608 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.442 ' O ' HG12 ' B' ' 66' ' ' VAL . 26.7 t -77.48 -4.84 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.333 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 59.1 t60 60.84 8.1 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.421 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.52 HD23 ' O ' ' B' ' 68' ' ' LEU . 0.8 OUTLIER -63.63 -13.09 39.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.104 -178.831 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 33.8 m -151.09 176.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.41 . . . . 1.0 110.876 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -136.16 175.09 9.92 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.855 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -141.31 148.31 39.55 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.754 0.311 . . . . 1.0 110.569 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -143.03 149.19 37.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.448 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -90.47 149.98 22.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.042 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -153.0 97.25 2.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 1.0 110.493 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.18 -110.36 3.11 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -111.44 -31.16 7.12 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.852 0.358 . . . . 1.0 110.28 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -83.22 141.53 31.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.762 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 47.1 mtm -90.66 88.86 7.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.223 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -78.44 134.28 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.6 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -115.12 154.33 29.13 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.549 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 59.5 p -156.31 -178.68 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.201 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.513 HD23 ' H ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -92.25 -175.96 4.2 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 179.489 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -69.81 -94.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.793 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 86' ' ' HIS . 50.7 m-20 -155.32 165.45 36.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.664 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.44 HG23 ' O ' ' B' ' 85' ' ' ILE . 4.1 tp -43.71 88.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.395 0.616 . . . . 1.0 110.953 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' B' ' 84' ' ' ASP . 5.6 t-160 -174.87 -39.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.612 -0.722 . . . . 1.0 109.628 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.495 HG23 ' N ' ' B' ' 88' ' ' ALA . 32.6 m -85.3 -41.04 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.466 -0.788 . . . . 1.0 110.471 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.495 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -66.92 -19.15 65.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.346 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 17.7 m -73.27 -48.31 35.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.372 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 8.6 tpt -63.63 -26.55 68.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.238 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 20.0 tp -62.47 -54.7 36.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.615 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -70.06 -55.6 9.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.103 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -44.11 -25.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 1.0 110.964 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.08 -70.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.906 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.8 tt -54.34 -12.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 1.0 110.42 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -70.82 -46.21 63.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.506 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -65.68 -13.39 59.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.385 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.54 -6.37 48.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.394 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.642 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.843 0.354 . . . . 1.0 110.657 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -75.91 -56.79 4.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.105 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.0 m -54.67 -31.82 58.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.294 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -52.48 -60.11 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.04 179.697 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -54.05 -23.33 13.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.741 -178.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -76.34 -36.3 58.31 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.653 -0.419 . . . . 1.0 110.378 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.5 t -55.77 -25.41 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.213 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.2 m -73.19 -58.79 3.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.306 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -39.07 -32.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.429 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.3 mt -57.55 -63.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.463 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' LEU . 98.0 m-85 -59.64 -57.29 13.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.701 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -44.96 -36.11 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.937 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.0 -25.21 58.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.41 . . . . 1.0 110.375 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -81.53 -30.56 33.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.868 -0.606 . . . . 1.0 109.824 179.265 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.65 87.36 0.53 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.067 -0.813 . . . . 1.0 111.067 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -161.14 121.92 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.725 0.298 . . . . 1.0 110.344 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -55.68 -33.61 64.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.923 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -74.58 -52.09 12.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.388 -177.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -69.51 -48.96 58.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.754 0.312 . . . . 1.0 111.316 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.422 HG23 ' N ' ' A' ' 30' ' ' ARG . 10.6 tp -46.58 -39.4 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.378 -0.373 . . . . 1.0 110.998 -176.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' N ' HG23 ' A' ' 29' ' ' ILE . 50.1 ttp180 -70.13 -34.34 72.94 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.204 -178.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.434 ' CD1' HE22 ' A' ' 59' ' ' GLN . 98.0 mt -68.05 -44.85 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.65 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.4 mmt -52.63 -33.94 48.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.681 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -72.49 -29.5 63.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.979 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.8 tp -75.61 -57.74 3.7 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.856 -0.337 . . . . 1.0 110.526 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.565 ' N ' HD12 ' A' ' 35' ' ' LEU . 9.5 mp -61.85 -24.17 66.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.293 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 t -63.87 -68.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.43 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -49.63 -39.13 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.416 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.5 m -165.73 134.62 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.662 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.604 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 20.0 mp0 -52.33 167.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.471 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.0 149.05 22.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.8 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.2 p -88.64 167.72 13.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.313 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.6 t -56.98 -56.83 12.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.901 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.28 -30.38 67.54 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.445 -0.662 . . . . 1.0 111.445 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -66.94 -22.24 65.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.724 0.297 . . . . 1.0 110.993 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.3 mt -77.65 -31.35 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.865 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 50' ' ' ASN . 13.5 t -48.17 -41.28 26.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 1.0 110.898 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -61.14 -15.9 38.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.947 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -92.88 -57.62 2.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.094 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.561 ' N ' HD12 ' A' ' 49' ' ' LEU . 9.5 mp -93.4 -33.23 13.93 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.554 -0.294 . . . . 1.0 110.52 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 46' ' ' SER . 69.9 m-80 54.86 87.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.838 0.351 . . . . 1.0 110.274 -178.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -160.22 -167.49 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.342 -178.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -69.42 124.56 24.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.729 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -54.13 -32.15 54.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.76 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.417 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 11.0 t -63.89 -17.65 63.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.756 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -74.59 -42.58 58.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.857 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 t -70.26 -41.95 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.913 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 t -55.61 -37.22 67.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.483 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.484 ' N ' ' ND1' ' A' ' 58' ' ' HIS . 1.8 m-70 -78.84 -34.31 45.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.652 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.434 HE22 ' CD1' ' A' ' 31' ' ' ILE . 34.2 tt0 -70.38 -60.82 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.782 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.3 tp -50.23 -31.74 14.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.665 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -67.08 -36.08 81.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.826 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.3 tp -67.78 -38.34 83.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.665 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.4 mt -64.94 -26.74 68.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.522 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -68.31 -36.84 79.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.677 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.4 m -47.27 -50.03 22.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.741 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -76.93 -1.14 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.521 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 62.25 20.61 11.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.412 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.07 -8.64 51.07 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.608 -0.437 . . . . 1.0 110.172 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 70' ' ' LYS . 30.1 t -137.02 155.46 32.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.353 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.414 ' N ' HG12 ' A' ' 69' ' ' VAL . 31.4 ttmt -152.16 122.75 7.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.252 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.0 169.23 8.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.608 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -149.01 164.36 34.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.221 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -87.83 132.82 34.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.424 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -153.0 108.38 3.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.293 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.28 -146.57 29.2 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.76 -0.936 . . . . 1.0 110.76 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -96.55 13.34 28.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.741 0.305 . . . . 1.0 110.498 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -138.29 163.26 32.25 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.042 0.448 . . . . 1.0 110.858 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' A' ' 78' ' ' MET . 2.1 mpt? -98.96 133.29 43.44 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.104 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 tt -117.17 137.75 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.276 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -102.05 134.93 44.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.662 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.3 t -147.14 173.9 12.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.051 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.771 ' N ' HD22 ' A' ' 82' ' ' LEU . 1.7 mm? -94.11 173.06 7.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.063 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -64.18 -126.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.055 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -82.87 -138.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.673 0.273 . . . . 1.0 110.504 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.7 pt -107.72 -2.97 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.257 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -61.0 -24.38 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.815 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 88' ' ' ALA . 28.9 m -77.38 -38.89 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.626 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -62.27 -59.61 4.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.619 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.4 p -47.15 -55.34 8.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.467 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.6 ttp -53.71 -54.28 40.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.658 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.11 -43.96 74.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.528 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -64.8 -56.96 10.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.598 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -46.48 -24.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.225 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.96 -64.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.789 -0.365 . . . . 1.0 110.727 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.2 tt -60.23 -16.11 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.687 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -74.81 -34.44 62.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.483 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -83.45 -15.94 47.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.537 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.64 -33.8 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.048 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 1.0 110.703 -179.401 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.6 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.697 0.284 . . . . 1.0 110.689 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -71.49 -59.16 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.909 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 41.6 p -64.93 -56.97 10.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.987 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.506 ' N ' HD12 ' B' ' 13' ' ' LEU . 9.1 mp -44.72 -30.06 0.88 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.76 -178.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -68.08 -54.26 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.49 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' B' ' 18' ' ' GLU . 56.3 ttt85 -67.13 -45.82 75.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.045 -178.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.416 HG12 ' O ' ' B' ' 16' ' ' VAL . 93.5 t -46.69 -15.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.975 -178.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.45 ' N ' ' O ' ' B' ' 15' ' ' ARG . 52.9 m -91.19 -29.15 17.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.82 0.343 . . . . 1.0 110.735 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' B' ' 15' ' ' ARG . 21.5 tt0 -77.93 -27.67 49.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.512 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 pt -62.62 -28.21 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.629 -0.429 . . . . 1.0 110.75 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -79.51 -52.48 7.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.602 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -44.75 -23.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.751 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.69 -32.22 65.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.06 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.591 ' N ' HD12 ' B' ' 23' ' ' LEU . 7.2 mp -84.85 -0.77 55.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 1.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.36 178.38 10.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.093 -0.803 . . . . 1.0 111.093 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 61.68 135.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 1.0 110.877 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -70.21 -12.27 61.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.254 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -69.67 -53.97 16.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 1.0 110.925 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' B' ' 28' ' ' ARG . 7.1 mpt_? -70.14 -28.82 65.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.25 -177.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 98.5 mt -69.78 -34.44 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.281 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -75.8 -36.37 59.75 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.995 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.0 mt -67.08 -25.4 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.368 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 2.4 tpt -76.12 -32.57 59.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.647 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -60.41 -58.11 9.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.323 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.35 -41.05 83.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.143 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.57 -39.88 81.53 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.391 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 52.0 m -59.45 -30.15 68.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.421 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 90.4 t -80.44 -44.8 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.609 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 5.9 m -167.3 131.07 1.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.636 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -47.74 166.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.336 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.12 148.04 21.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 1.0 110.693 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 60.2 m -79.7 168.71 18.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.406 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.582 HG13 ' N ' ' B' ' 43' ' ' GLY . 7.7 p -56.49 -53.21 43.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.884 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.582 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -66.02 -17.28 65.36 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.749 -0.54 . . . . 1.0 111.749 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.34 -24.37 54.24 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.66 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 15.1 mm -70.05 -27.8 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 1.0 110.469 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.48 ' O ' ' N ' ' B' ' 50' ' ' ASN . 8.8 t -56.82 -46.19 81.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.93 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.487 ' N ' ' ND1' ' B' ' 47' ' ' HIS . 1.8 m80 -73.71 -23.66 59.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.429 -0.35 . . . . 1.0 111.127 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -69.13 -8.54 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.185 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.416 ' C ' HD12 ' B' ' 49' ' ' LEU . 0.3 OUTLIER -165.92 17.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.829 -179.636 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' B' ' 50' ' ' ASN . 2.1 p-10 40.71 82.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.39 . . . . 1.0 111.883 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 77.9 mt -148.87 -177.88 6.04 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.438 ' C ' ' N ' ' B' ' 54' ' ' SER . 12.6 t -78.72 121.24 24.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.72 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -48.89 -15.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.738 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.438 ' N ' ' C ' ' B' ' 52' ' ' SER . 98.8 p -81.83 -30.5 32.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.684 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -68.06 -42.71 80.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.965 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.418 HG23 ' N ' ' B' ' 57' ' ' SER . 16.3 m -73.72 -37.15 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.822 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.418 ' N ' HG23 ' B' ' 56' ' ' VAL . 28.2 t -57.36 -37.22 72.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.399 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -74.49 -54.29 7.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.342 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -52.09 -40.73 61.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.7 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.2 tp -59.5 -33.47 71.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.676 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -61.76 -35.03 76.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.763 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.56 ' N ' HD12 ' B' ' 62' ' ' LEU . 10.1 mp -76.11 -38.67 56.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.215 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 11.4 tp -67.13 -38.31 85.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.421 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.464 ' CB ' ' NZ ' ' B' ' 64' ' ' LYS . 2.5 ttmp? -66.91 -35.11 79.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.815 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' B' ' 67' ' ' HIS . 12.6 t -46.94 -61.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.706 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.401 ' O ' HG12 ' B' ' 66' ' ' VAL . 20.5 t -60.45 -4.14 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.314 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' B' ' 65' ' ' SER . 7.2 m80 69.12 19.52 7.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.164 178.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 mt -63.58 -10.87 20.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.081 0.467 . . . . 1.0 109.843 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 30.9 m -149.09 174.67 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.714 -0.676 . . . . 1.0 109.743 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -129.04 166.86 18.42 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.14 0.495 . . . . 1.0 110.675 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -138.86 131.35 28.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.485 -0.78 . . . . 1.0 109.337 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -136.79 153.75 50.73 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.894 0.378 . . . . 1.0 110.418 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.524 ' N ' ' CD ' ' B' ' 73' ' ' ARG . 10.1 mpt_? -90.77 146.19 24.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 1.0 109.982 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -147.07 81.57 1.55 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.84 0.352 . . . . 1.0 110.255 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.83 -83.87 1.51 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -138.29 -29.5 0.82 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.621 0.248 . . . . 1.0 110.573 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 71.2 m -84.37 135.27 34.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.319 . . . . 1.0 110.698 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.439 ' O ' ' CE2' ' B' ' 80' ' ' TYR . 68.7 mtm -87.28 87.97 7.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.408 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -83.6 144.32 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.894 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.439 ' CE2' ' O ' ' B' ' 78' ' ' MET . 10.0 m-85 -120.48 151.91 38.71 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.192 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 37.2 p -148.57 178.02 8.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.879 0.371 . . . . 1.0 110.587 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.15 161.91 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.719 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.49 -67.92 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.669 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -150.98 -171.92 4.06 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.719 ' H ' HD13 ' B' ' 85' ' ' ILE . 0.0 OUTLIER -85.36 94.4 3.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.967 -0.383 . . . . 1.0 109.967 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -173.32 -14.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.66 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.5 m -81.27 -34.49 13.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.022 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.35 -30.46 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.96 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' B' ' 93' ' ' GLN . 52.5 m -82.72 -30.18 29.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.087 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 6.2 tpt -68.37 -43.86 76.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.173 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 27.1 mt -72.54 -54.28 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.41 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.498 ' CD ' ' N ' ' B' ' 92' ' ' LYS . 10.4 mptt -64.71 -13.51 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.667 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' B' ' 89' ' ' THR . 44.6 mm-40 -93.2 -25.37 17.85 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.727 0.298 . . . . 1.0 110.607 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.76 -55.02 14.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.392 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.48 -26.72 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.578 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' HIS . . . . . 0.426 ' O ' ' ND1' ' B' ' 96' ' ' HIS . 0.7 OUTLIER -61.28 -37.88 84.74 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.686 179.667 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 97' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' B' ' 99' ' ' ASN . 11.3 t60 -64.42 -63.8 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.591 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -42.81 -23.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.215 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' B' ' 97' ' ' HIS . 12.5 m120 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 1.0 110.916 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.4 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.851 0.358 . . . . 1.0 110.717 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -64.32 -56.25 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.688 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.9 p -62.6 -53.73 50.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.524 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 tp -45.39 -28.45 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.595 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -66.13 -57.18 8.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.272 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' CB ' ' NH1' ' A' ' 15' ' ' ARG . 29.0 mtm105 -59.34 -38.68 80.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.988 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.3 t -46.92 -43.9 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.806 0.336 . . . . 1.0 110.651 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.6 m -64.4 -35.56 81.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.732 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -60.55 -21.54 62.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.494 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.5 mt -73.7 -30.48 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.056 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -82.95 -68.15 0.73 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.699 0.285 . . . . 1.0 111.16 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -45.58 -36.26 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.217 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.98 -23.09 43.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.413 -0.358 . . . . 1.0 111.115 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 mt -89.59 8.01 33.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.492 -0.322 . . . . 1.0 111.246 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.77 -57.2 21.03 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.169 -0.773 . . . . 1.0 111.169 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -46.67 103.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 1.0 110.741 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -51.12 -18.53 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.442 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -82.45 -35.02 27.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.94 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -74.44 -34.89 63.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.225 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.4 tp -72.61 -32.17 40.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.819 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -71.89 -32.49 67.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.741 0.305 . . . . 1.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.5 mt -69.62 -24.77 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.091 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.7 ttm -74.73 -38.21 62.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.171 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -54.6 -31.06 56.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.524 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -68.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.644 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.55 ' N ' HD12 ' A' ' 35' ' ' LEU . 9.8 mp -54.76 -12.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.848 -0.341 . . . . 1.0 110.242 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.7 m -75.86 -49.72 17.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.593 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 p -79.29 -24.79 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.574 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 p -170.74 121.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 1.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -46.34 168.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.494 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.48 151.13 24.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.855 0.359 . . . . 1.0 110.887 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.0 m -84.86 -175.23 5.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.681 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.52 -60.81 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.847 -0.615 . . . . 1.0 111.254 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.6 -19.26 76.3 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 120.851 -0.69 . . . . 1.0 111.973 -175.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -74.88 -33.2 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 122.554 -0.38 . . . . 1.0 111.936 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.7 pt -77.01 -16.78 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.527 -0.469 . . . . 1.0 110.968 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.1 m -55.54 -16.59 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.694 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -81.12 -17.67 49.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.381 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -81.79 -58.18 3.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.981 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 50' ' ' ASN . 7.1 tp -172.72 -19.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.874 -0.33 . . . . 1.0 111.101 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 49' ' ' LEU . 25.5 m-80 -60.84 -127.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.739 -0.385 . . . . 1.0 110.739 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.47 ' C ' HD23 ' A' ' 51' ' ' LEU . 3.0 tt -165.4 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.611 -0.435 . . . . 1.0 110.821 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 t -154.61 -148.08 0.23 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.822 0.344 . . . . 1.0 110.908 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -78.36 -53.52 7.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.352 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.9 t -45.35 -50.6 12.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.275 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -72.82 -49.53 29.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.576 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.0 t -63.52 -33.1 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.005 -177.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.2 p -59.72 -44.71 93.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.087 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -25.21 64.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.119 -178.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -80.01 -69.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 1.0 111.251 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.7 mt -45.79 -24.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.931 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -72.61 -43.76 62.89 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.776 -0.369 . . . . 1.0 110.312 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 tp -64.22 -50.39 68.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.911 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.98 -24.92 66.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 1.0 111.14 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -62.83 -40.35 97.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.762 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.7 m -71.1 -22.47 62.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.891 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.46 ' O ' ' CB ' ' A' ' 67' ' ' HIS . 24.1 t -75.01 -0.96 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.575 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.46 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 12.7 t-80 86.44 2.0 0.54 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.747 179.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.7 mt -111.23 157.47 20.07 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.262 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 t 66.84 133.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.82 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -144.23 149.16 35.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.046 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.71 122.97 45.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.861 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -96.04 129.65 43.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.19 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -85.45 105.2 15.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.753 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -128.23 83.43 2.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.35 -0.386 . . . . 1.0 109.999 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.3 -167.9 35.23 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.503 -1.039 . . . . 1.0 110.503 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -56.57 -15.48 4.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 1.0 110.353 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.4 t -92.24 116.36 28.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.949 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -100.31 143.66 30.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.092 -0.504 . . . . 1.0 109.786 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.6 pt -139.87 162.1 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.796 0.331 . . . . 1.0 110.621 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -125.22 151.45 45.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.085 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.8 p -174.45 110.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.446 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.578 HD23 ' H ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -67.83 -107.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 178.722 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.5 t0 45.0 89.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.139 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -102.21 18.94 19.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.24 -0.436 . . . . 1.0 109.83 177.303 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.521 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 9.0 mm 63.94 45.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.768 -0.651 . . . . 1.0 109.589 -176.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 56.4 m-70 -163.46 -24.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.825 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.2 -36.74 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.067 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.79 -42.5 81.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.456 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.419 ' O ' ' OE1' ' A' ' 93' ' ' GLN . 17.9 p -59.47 -58.97 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.289 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.5 ttt -46.17 -43.78 15.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.402 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -63.57 -35.74 81.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.302 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 94' ' ' ALA . 16.4 ttmm -69.73 -63.63 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.419 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.517 ' CD ' ' H ' ' A' ' 93' ' ' GLN . 1.2 mp0 -42.53 -18.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.989 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -76.16 -53.03 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 1.0 110.415 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.2 mm -53.34 -21.82 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.566 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -75.61 -50.71 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.543 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -62.31 -33.72 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.11 -59.13 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.063 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.419 178.522 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.876 0.37 . . . . 1.0 110.582 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -82.11 -48.22 11.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.403 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.6 p -59.09 -29.66 67.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.473 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.426 HD13 ' C ' ' B' ' 13' ' ' LEU . 0.3 OUTLIER -65.2 -67.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.267 -179.478 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -43.39 -25.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.595 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -73.06 -36.94 66.97 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.854 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.53 ' O ' ' CE2' ' B' ' 20' ' ' PHE . 27.2 t -64.12 -24.19 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.319 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 29.1 m -91.69 -38.26 12.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.708 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' B' ' 22' ' ' ALA . 57.3 tt0 -63.14 -13.35 35.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.797 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 7.8 pt -81.4 -33.82 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.888 -0.325 . . . . 1.0 110.946 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' B' ' 16' ' ' VAL . 6.2 m-85 -76.16 -67.09 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.598 -0.441 . . . . 1.0 111.024 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -51.42 -39.83 58.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.288 -177.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' B' ' 18' ' ' GLU . . . -49.98 -19.61 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.551 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.9 mt -106.8 50.4 0.77 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.78 -71.59 1.18 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.523 ' OD2' ' NH1' ' B' ' 28' ' ' ARG . 57.6 t0 -44.15 131.63 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 1.0 111.15 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -65.68 -10.94 40.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.0 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -67.02 -43.88 81.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.298 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.523 ' NH1' ' OD2' ' B' ' 25' ' ' ASP . 7.9 mpt_? -73.12 -26.71 61.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.574 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 31.3 mm -67.61 -39.41 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.763 -0.375 . . . . 1.0 110.863 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -71.94 -32.95 67.82 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.793 -0.363 . . . . 1.0 110.688 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.43 -56.93 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.471 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 65.4 mtp -49.14 -39.54 29.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.496 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.84 -31.83 73.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.796 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.462 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.3 OUTLIER -70.47 -57.33 4.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.053 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.533 ' N ' HD12 ' B' ' 35' ' ' LEU . 10.2 mp -56.34 -16.8 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.527 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.3 m -69.97 -42.23 73.43 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.651 -0.419 . . . . 1.0 110.212 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 t -77.28 -40.36 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.566 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 45.9 t -164.84 135.65 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.515 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -53.87 169.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.14 148.83 22.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.873 0.368 . . . . 1.0 110.832 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 50.6 m -80.5 164.78 22.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.219 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.616 HG13 ' N ' ' B' ' 43' ' ' GLY . 10.5 p -52.65 -52.37 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.633 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.616 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -69.19 -36.63 80.1 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 121.105 -0.569 . . . . 1.0 111.687 -177.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.8 -28.46 66.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.714 0.292 . . . . 1.0 111.122 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.8 mt -74.73 -19.14 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.725 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 23.7 p -56.62 -49.1 75.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 1.0 110.906 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -60.19 -11.85 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.023 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -77.43 -55.39 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.928 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.4 mt -132.82 42.54 3.06 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.372 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 61.68 -130.29 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.549 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 22.8 mt 57.61 -178.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.784 0.326 . . . . 1.0 110.515 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.1 m -121.34 175.85 5.94 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.573 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -66.53 -34.12 77.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.729 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 59.6 p -71.06 -44.54 65.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.594 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -58.92 -44.12 91.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.727 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 92.3 t -68.59 -30.56 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.753 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 22.7 p -59.02 -34.73 72.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.58 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -36.27 59.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.102 -178.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -68.21 -66.21 0.6 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.996 -178.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 43.1 mt -48.59 -25.38 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.942 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -70.66 -40.96 72.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 1.0 110.344 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.447 HD23 ' O ' ' B' ' 62' ' ' LEU . 3.2 tt -57.22 -56.02 27.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.052 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.545 ' N ' HD12 ' B' ' 63' ' ' LEU . 8.4 mp -58.09 -26.91 63.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.308 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -73.52 -10.65 59.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.433 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -81.51 -50.2 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.689 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.852 HG13 ' H ' ' B' ' 67' ' ' HIS . 5.6 p -64.72 -70.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.575 -0.45 . . . . 1.0 111.565 -175.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.852 ' H ' HG13 ' B' ' 66' ' ' VAL . 29.0 t-80 -176.85 0.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.108 -0.237 . . . . 1.0 111.475 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.426 ' H ' ' H ' ' B' ' 67' ' ' HIS . 10.4 mp -103.51 152.69 21.39 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.74 -0.467 . . . . 1.0 109.74 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.1 t 63.62 146.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.067 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -151.4 140.81 21.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.749 -0.66 . . . . 1.0 109.867 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.66 142.0 34.54 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.99 0.424 . . . . 1.0 110.791 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -146.42 113.54 6.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.731 178.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -60.66 151.43 29.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.372 -174.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -152.91 96.69 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.517 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 63.42 48.44 78.5 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 70.75 -22.29 0.18 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.552 0.215 . . . . 1.0 111.154 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' SER . . . . . 0.495 ' H ' ' C ' ' B' ' 75' ' ' GLY . 14.8 m -84.14 119.84 25.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.8 0.333 . . . . 1.0 110.591 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -83.37 124.49 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.598 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.442 HG22 ' N ' ' B' ' 80' ' ' TYR . 85.9 mt -129.42 155.51 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.21 -179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.484 ' CD1' ' N ' ' B' ' 80' ' ' TYR . 5.2 m-85 -127.59 159.56 34.27 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.419 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 66.6 m -159.96 -167.94 2.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.796 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.31 150.19 47.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.745 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -81.38 -21.54 38.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.384 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.505 ' OD2' ' ND1' ' B' ' 86' ' ' HIS . 26.7 t70 -172.03 178.17 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.127 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.466 ' O ' ' HB3' ' B' ' 88' ' ' ALA . 34.5 mt -78.99 -27.33 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 1.0 110.817 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.505 ' ND1' ' OD2' ' B' ' 84' ' ' ASP . 41.5 m80 -52.46 -65.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.009 -178.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 7.6 p -45.42 -29.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.098 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 85' ' ' ILE . . . -62.77 -59.09 5.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.359 . . . . 1.0 110.59 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.421 ' O ' ' OE1' ' B' ' 93' ' ' GLN . 71.8 p -62.55 -29.67 70.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.586 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 15.2 ttt -48.6 -54.67 13.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.795 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 25.8 mt -68.25 -23.95 64.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.933 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -67.69 -70.22 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.593 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.474 ' H ' ' CD ' ' B' ' 93' ' ' GLN . 7.5 mp0 -53.43 -12.11 0.4 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.948 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.0 -46.45 57.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.402 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 77.2 mt -72.67 -14.36 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.809 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.58 -51.18 53.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.764 -0.374 . . . . 1.0 110.299 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -63.14 -22.97 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.383 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.62 87.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.666 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.454 179.756 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.813 0.34 . . . . 1.0 110.584 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -76.0 -24.5 55.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.526 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.8 p -76.26 -65.86 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.587 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.4 tp -46.2 -24.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.341 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -73.39 -55.31 6.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.478 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.43 ' C ' ' N ' ' A' ' 17' ' ' THR . 27.4 ttp180 -50.99 -35.19 32.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.882 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.6 t -46.15 -18.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.712 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.43 ' N ' ' C ' ' A' ' 15' ' ' ARG . 84.6 m -88.0 -37.08 16.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.703 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' ARG . 77.2 mt-10 -67.89 -34.52 76.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.531 -177.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.9 pt -60.66 -27.47 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.85 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -77.72 -46.72 20.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.487 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -50.94 -20.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 1.0 110.466 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.2 -38.07 84.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.174 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 23' ' ' LEU . 9.5 mp -72.6 -11.47 60.66 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 177.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.11 -24.11 0.51 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.939 -0.865 . . . . 1.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -79.0 143.28 35.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 1.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' ARG . 51.6 t80 -87.59 -71.6 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.235 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -45.2 -13.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.511 -177.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -75.18 -42.87 54.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.749 0.309 . . . . 1.0 110.389 -179.014 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 tp -56.89 -41.26 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.876 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -67.08 -32.68 74.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.033 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.6 mt -74.54 -35.12 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.651 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.6 ttt -62.05 -39.53 92.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.711 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' C ' ' N ' ' A' ' 35' ' ' LEU . 62.3 mm-40 -59.02 -68.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.146 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -52.1 -11.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.193 -177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 35' ' ' LEU . 1.4 tt -79.93 -59.5 2.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.055 0.455 . . . . 1.0 109.994 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.5 t -47.73 -39.21 17.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.586 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.29 -36.85 71.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.418 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 35' ' ' LEU . 82.7 p -169.86 157.63 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.558 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -59.53 166.25 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.085 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.33 126.49 5.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 1.0 110.82 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t -77.12 -159.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.404 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -68.32 -63.75 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.402 . . . . 1.0 110.595 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.16 -35.63 88.32 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.17 -0.772 . . . . 1.0 111.17 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -49.73 -28.17 5.76 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 122.771 -0.252 . . . . 1.0 111.268 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 92.9 mt -74.06 -55.2 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.839 -0.344 . . . . 1.0 110.863 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.415 ' O ' ' OD1' ' A' ' 50' ' ' ASN . 99.0 p -69.75 -3.82 17.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.37 . . . . 1.0 110.353 178.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -35.3 -48.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.642 -0.708 . . . . 1.0 112.599 -175.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -97.05 -45.33 6.61 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.847 0.356 . . . . 1.0 110.782 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.2 mt -57.42 -58.21 9.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.741 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 46' ' ' SER . 1.6 m120 56.06 92.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.647 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -143.71 -65.67 0.37 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.216 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.3 m -155.19 121.2 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.624 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -74.34 -34.94 63.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.654 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.5 m -59.17 -26.14 64.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.355 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -76.69 -40.23 49.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.462 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.3 -40.95 82.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.484 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -62.17 -34.11 75.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.361 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -73.72 -64.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.705 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -49.97 -50.2 47.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.745 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.1 tp -49.11 -37.47 21.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.664 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -69.94 -35.59 74.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.678 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.75 -38.64 85.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.473 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.49 -21.01 65.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.763 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -72.27 -21.5 61.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.278 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 67' ' ' HIS . 83.8 p -72.01 -59.55 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.668 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 66' ' ' VAL . 3.1 t -59.18 -6.55 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.926 0.393 . . . . 1.0 110.125 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.414 ' H ' ' C ' ' A' ' 65' ' ' SER . 0.8 OUTLIER 66.69 10.54 7.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.742 177.263 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.86 -9.28 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.423 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.555 HG12 ' N ' ' A' ' 70' ' ' LYS . 63.9 t -142.56 162.4 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.664 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.555 ' N ' HG12 ' A' ' 69' ' ' VAL . 31.4 ttmt -142.71 135.01 27.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.152 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.53 156.81 19.68 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.632 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -139.82 156.04 46.94 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.006 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -88.88 140.62 29.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.81 0.338 . . . . 1.0 110.704 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -153.24 99.78 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.104 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.19 -132.56 13.61 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.472 -1.051 . . . . 1.0 110.472 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -102.03 24.65 9.76 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.028 0.442 . . . . 1.0 109.933 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.0 p -150.68 168.75 23.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.521 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.6 ptp -115.57 143.9 44.66 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.539 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.2 mm -116.15 127.28 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.194 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -92.8 138.14 31.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.043 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.3 m -154.51 -176.38 5.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.919 0.39 . . . . 1.0 110.787 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.95 143.77 57.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.78 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -79.93 -17.17 53.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.381 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 37.2 t0 -172.21 168.0 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.52 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.406 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 21.1 pt -75.59 -10.19 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.795 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -68.92 -29.62 67.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.797 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.4 t -61.87 -46.71 95.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.122 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.78 -35.58 61.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.994 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.9 m -78.2 -62.82 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.944 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' A' ' 90' ' ' MET . 2.1 tmt? -43.35 -39.04 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.974 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.6 tp -61.33 -68.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.602 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -58.1 -47.2 83.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.785 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -49.11 -22.03 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.413 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.64 -52.68 8.09 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.696 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.655 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.9 mp -58.66 -13.04 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.88 -0.415 . . . . 1.0 109.88 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' A' ' 99' ' ' ASN . 1.4 m-70 -76.09 -54.61 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.758 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -57.66 -30.93 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.789 -0.364 . . . . 1.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.41 -49.32 72.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.788 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.431 ' O ' ' O ' ' A' ' 96' ' ' HIS . 13.4 p30 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.553 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.864 0.364 . . . . 1.0 110.611 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -56.8 -52.86 63.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.647 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 65.3 p -60.01 -50.17 74.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.491 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 38.0 tp -43.41 -30.01 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.825 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -73.84 -57.23 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.853 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' B' ' 17' ' ' THR . 45.5 mtp180 -49.99 -47.8 52.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.745 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.411 ' O ' HG12 ' B' ' 16' ' ' VAL . 85.7 t -44.33 -16.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.888 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.51 ' N ' ' O ' ' B' ' 15' ' ' ARG . 8.2 m -84.53 -45.53 12.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.379 -178.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -15.13 63.48 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.59 -177.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 46.2 mm -58.77 -52.44 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.383 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -64.62 -53.3 49.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.637 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.461 ' C ' ' H ' ' B' ' 23' ' ' LEU . 85.7 tttt -49.88 -42.4 47.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.506 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.28 16.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.535 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.481 HD13 ' O ' ' B' ' 23' ' ' LEU . 0.2 OUTLIER -130.31 -14.38 3.8 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 -178.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.56 93.96 0.22 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.137 -0.785 . . . . 1.0 111.137 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.534 ' CB ' HH11 ' B' ' 28' ' ' ARG . 26.4 t70 -170.3 164.57 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.159 -0.311 . . . . 1.0 110.159 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 34.5 m-85 -88.77 -52.23 5.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.106 0.479 . . . . 1.0 111.068 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -60.84 -25.61 66.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.709 -0.678 . . . . 1.0 111.56 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.534 HH11 ' CB ' ' B' ' 25' ' ' ASP . 75.5 mtt85 -75.47 -16.12 60.35 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.738 -0.385 . . . . 1.0 110.744 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 mm -77.11 -47.12 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.731 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -76.09 -37.56 58.04 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.819 -0.352 . . . . 1.0 111.206 -178.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 93.2 mt -64.67 -59.2 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.336 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 25.1 ttt -48.56 -35.48 13.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.712 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.96 -50.32 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.552 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.479 HD23 ' O ' ' B' ' 34' ' ' LEU . 1.8 tt -46.94 -56.67 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.195 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 30.5 mt -43.51 -49.8 7.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.016 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.0 m -54.29 -40.98 68.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.878 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -70.13 -54.12 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 1.0 110.824 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 92.1 p -162.42 151.03 14.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.486 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -56.72 170.51 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.435 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.51 174.43 12.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.108 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.422 ' H ' ' HB3' ' B' ' 44' ' ' HIS . 57.8 p -121.42 -173.15 2.56 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.811 -0.44 . . . . 1.0 109.811 178.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.624 HG13 ' N ' ' B' ' 43' ' ' GLY . 7.3 p -62.97 -56.72 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.747 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.624 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -74.18 -37.99 47.75 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 121.205 -0.521 . . . . 1.0 112.177 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.422 ' HB3' ' H ' ' B' ' 41' ' ' SER . 57.2 t-80 -51.11 -24.84 4.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.969 0.385 . . . . 1.0 110.942 -177.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.57 HG22 ' O ' ' B' ' 42' ' ' VAL . 10.1 tp -61.31 -16.23 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.125 0.488 . . . . 1.0 110.129 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.529 ' O ' ' N ' ' B' ' 50' ' ' ASN . 58.7 p -64.15 -59.44 4.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.68 -0.691 . . . . 1.0 111.014 -178.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -40.7 -22.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.092 0.472 . . . . 1.0 110.71 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' B' ' 46' ' ' SER . 52.1 tp60 -92.18 -44.78 8.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.518 -0.765 . . . . 1.0 110.026 177.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' B' ' 46' ' ' SER . 21.5 mt -141.47 63.41 1.43 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.196 -0.457 . . . . 1.0 109.962 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' B' ' 46' ' ' SER . 54.6 t-20 -58.49 81.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.785 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' B' ' 49' ' ' LEU . 27.1 mt -133.85 -171.99 2.87 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.164 -0.471 . . . . 1.0 109.9 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 58.4 m -49.05 110.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.528 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -46.16 -38.77 8.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.794 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 27.7 m -48.59 -28.27 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.607 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -67.96 -24.74 65.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.077 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 94.5 t -73.44 -50.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 1.0 110.774 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 11.7 t -51.41 -40.1 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.614 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -64.56 -48.93 73.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.985 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -58.06 -69.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.869 0.366 . . . . 1.0 111.184 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' B' ' 60' ' ' LEU . 48.0 mt -40.92 -27.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.222 -178.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -68.99 -43.47 74.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.237 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 mt -73.71 -57.52 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.301 . . . . 1.0 111.162 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.575 ' N ' HD12 ' B' ' 63' ' ' LEU . 9.9 mp -45.79 -41.08 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.359 . . . . 1.0 110.424 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.63 -31.67 69.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.799 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.501 ' OG ' ' N ' ' B' ' 66' ' ' VAL . 19.4 p -48.7 -61.06 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.688 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.501 ' N ' ' OG ' ' B' ' 65' ' ' SER . 6.7 m -75.63 2.4 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.735 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 48.1 m80 57.17 33.93 24.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.808 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -76.25 -10.99 59.83 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.805 -0.813 . . . . 1.0 108.805 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.417 HG12 ' N ' ' B' ' 70' ' ' LYS . 52.3 t -135.76 155.33 35.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.835 -0.62 . . . . 1.0 109.837 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.417 ' N ' HG12 ' B' ' 69' ' ' VAL . 46.2 mmtt -133.52 127.23 32.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.981 0.42 . . . . 1.0 110.198 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.58 138.27 39.71 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.047 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -130.5 149.62 52.08 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.168 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -93.64 136.05 34.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.145 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -143.16 87.56 1.97 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.457 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.1 -65.45 2.64 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -158.35 -23.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.6 0.238 . . . . 1.0 110.837 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 34.3 t -89.01 130.69 35.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.75 0.31 . . . . 1.0 110.765 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.488 ' O ' ' CE2' ' B' ' 80' ' ' TYR . 60.3 mmm -87.27 99.44 11.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.279 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 13.9 mm -81.17 149.53 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.991 0.424 . . . . 1.0 111.045 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.488 ' CE2' ' O ' ' B' ' 78' ' ' MET . 55.9 m-85 -130.07 141.73 50.68 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.905 -0.588 . . . . 1.0 109.835 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' B' ' 82' ' ' LEU . 41.7 t -158.29 -168.34 2.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.038 0.446 . . . . 1.0 110.966 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.437 ' N ' ' OG ' ' B' ' 81' ' ' SER . 18.1 mt -68.4 147.96 51.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.792 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' B' ' 83' ' ' ASP . 5.0 t70 -83.83 -23.02 31.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.441 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -168.02 150.17 5.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.33 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 17.0 mm -59.98 -21.37 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.638 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -70.17 -15.35 62.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.693 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 59.4 t -75.78 -43.65 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.709 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.73 -54.24 47.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.754 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 10.0 m -55.13 -45.33 75.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.749 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' MET . . . . . 0.437 ' C ' ' SD ' ' B' ' 90' ' ' MET . 1.8 tmt? -53.56 -44.95 69.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.741 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.7 tp -59.7 -44.65 93.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.819 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.479 ' CB ' ' NZ ' ' B' ' 92' ' ' LYS . 8.1 mtpm? -67.33 -56.66 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.995 -178.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -51.72 -20.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.238 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.12 -68.11 0.72 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.834 0.349 . . . . 1.0 110.814 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 73.8 mt -50.84 -21.55 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.705 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 -75.97 -39.81 55.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.882 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -77.69 -13.96 59.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.528 -0.306 . . . . 1.0 110.874 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.94 -52.94 3.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.758 0.313 . . . . 1.0 111.204 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.672 179.839 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 12' ' ' THR . 68.4 p . . . . . 0 N--CA 1.461 0.089 0 CA-C-O 120.768 0.318 . . . . 1.0 110.257 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.402 ' N ' ' OG1' ' A' ' 10' ' ' THR . 34.8 t70 -33.64 -27.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.534 -0.757 . . . . 1.0 112.252 -176.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' THR . 18.6 p -69.72 -71.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.562 -0.29 . . . . 1.0 111.058 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.571 ' N ' HD12 ' A' ' 13' ' ' LEU . 9.7 mp -68.03 -9.26 44.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.076 -177.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -79.78 -35.96 37.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.742 0.306 . . . . 1.0 110.844 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -81.51 -39.15 25.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.552 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.2 t -57.01 -39.15 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.368 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 19' ' ' ILE . 36.7 m -63.19 -61.8 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.334 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -36.4 -29.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.829 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' THR . 83.6 mt -54.92 -53.41 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.445 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' LEU . 14.9 m-85 -75.83 -61.06 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.874 -179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -43.32 -45.75 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.157 -178.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.93 -24.24 66.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.88 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' PHE . 6.3 tp -83.13 29.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.362 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.49 82.31 1.68 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -161.98 146.12 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.699 0.285 . . . . 1.0 110.306 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -87.75 -67.45 0.82 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.061 0.457 . . . . 1.0 110.83 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -52.57 -15.45 0.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.109 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -76.77 -30.31 56.45 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.898 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.3 mm -72.57 -37.03 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.859 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.487 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 48.8 ttt85 -71.6 -31.0 66.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.749 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.1 mt -73.24 -50.45 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.342 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.4 tpt -52.21 -36.15 51.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.53 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -55.73 -62.53 1.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.4 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.6 tp -49.23 -54.46 16.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.299 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -42.15 -53.44 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.744 -179.556 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 m -55.72 -45.57 77.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.161 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.48 -30.53 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.499 -0.319 . . . . 1.0 110.99 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t 172.11 138.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.581 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -55.79 154.04 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.647 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.513 ' O ' ' CE1' ' A' ' 80' ' ' TYR . . . -156.96 164.83 37.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.345 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.7 p -89.76 161.55 15.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.4 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 81.5 t -50.76 -51.57 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.717 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.56 -36.83 90.9 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.528 -0.629 . . . . 1.0 111.528 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -65.34 -31.79 73.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.66 0.267 . . . . 1.0 111.017 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.62 -28.11 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.841 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 50' ' ' ASN . 55.5 p -53.66 -24.49 14.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.083 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -79.02 -11.38 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.947 0.403 . . . . 1.0 110.534 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 30' ' ' ARG . 60.6 tt0 -75.68 -45.77 35.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.863 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.8 tp -171.46 -28.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.785 -0.366 . . . . 1.0 110.984 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.471 ' C ' HD22 ' A' ' 51' ' ' LEU . 5.7 m-80 -81.6 128.0 33.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.884 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 51' ' ' LEU . 3.4 mm? -101.34 24.65 9.27 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 177.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.504 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 3.3 p -157.56 138.06 12.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.107 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -85.02 -21.38 29.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.33 -178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.0 p -66.57 -36.04 81.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.557 -0.292 . . . . 1.0 111.261 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.526 ' OD1' ' N ' ' A' ' 56' ' ' VAL . 18.6 p30 -67.87 -36.47 80.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.733 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.526 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 10.5 t -68.42 -36.88 76.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.753 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.6 m -56.91 -40.85 77.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.865 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.525 ' N ' ' ND1' ' A' ' 58' ' ' HIS . 1.3 m-70 -75.67 -60.29 2.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.932 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -49.04 -53.62 19.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.011 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.5 tp -56.49 -33.49 66.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.785 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -60.71 -31.4 70.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 1.0 110.679 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.5 mt -70.08 -54.13 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.667 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.7 mp -52.79 -35.66 57.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.196 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -61.47 -29.91 70.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.39 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 t -74.28 -33.11 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.406 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.22 -0.88 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.108 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 66.04 9.06 5.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.256 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.3 mt -74.32 -12.97 60.68 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.749 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.559 HG22 ' N ' ' A' ' 70' ' ' LYS . 7.2 p -145.48 162.81 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-O 120.96 0.409 . . . . 1.0 110.59 -178.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' N ' HG22 ' A' ' 69' ' ' VAL . 0.9 OUTLIER -142.87 174.88 10.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.109 -179.664 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -153.88 158.87 41.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 1.0 110.506 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -148.87 161.38 41.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.037 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -93.34 136.9 33.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.371 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -153.02 80.57 1.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.54 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 79.03 49.47 6.36 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.085 -0.806 . . . . 1.0 111.085 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 69.32 -16.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.558 0.218 . . . . 1.0 111.28 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.504 ' H ' ' C ' ' A' ' 75' ' ' GLY . 25.3 p -87.98 120.85 29.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.815 0.34 . . . . 1.0 110.606 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 29.5 mtt -83.25 87.95 6.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.501 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.8 mm -88.61 159.15 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.656 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.513 ' CE1' ' O ' ' A' ' 40' ' ' ALA . 5.3 p90 -150.08 175.89 11.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.219 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 31.3 t -157.44 -175.59 5.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.626 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.466 ' N ' ' OG ' ' A' ' 81' ' ' SER . 59.5 tp -73.31 151.69 41.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.454 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.419 ' OD2' ' OD1' ' A' ' 84' ' ' ASP . 15.8 t70 -46.79 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.734 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' OD1' ' OD2' ' A' ' 83' ' ' ASP . 8.3 m-20 -157.82 -167.92 2.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.994 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.405 HG12 ' H ' ' A' ' 85' ' ' ILE . 13.8 pt -70.02 5.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.629 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.415 ' H ' ' C ' ' A' ' 84' ' ' ASP . 33.6 m170 -83.12 -93.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.886 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.5 t -45.89 -23.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.912 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.85 -51.94 20.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.969 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.1 m -77.97 -41.09 37.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.056 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 35.3 ttp -44.73 -42.22 7.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.967 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.451 HD23 ' C ' ' A' ' 91' ' ' LEU . 3.6 tt -72.1 -57.87 3.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.207 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -60.75 -10.53 5.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -89.3 -25.92 21.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.951 0.405 . . . . 1.0 110.605 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.88 -61.3 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.627 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 95' ' ' ILE . 13.9 pt -62.02 -22.38 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.65 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -70.3 -41.67 73.02 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.337 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -73.2 -6.19 44.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.55 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.54 97.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.004 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 10.4 p30 . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.519 -179.354 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.811 0.339 . . . . 1.0 110.808 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.95 -28.34 69.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.331 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.457 ' C ' ' N ' ' B' ' 14' ' ' GLU . 95.6 m -79.37 -48.92 13.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.739 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.501 ' N ' HD12 ' B' ' 13' ' ' LEU . 8.6 mp -48.22 -16.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 1.0 109.914 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.457 ' N ' ' C ' ' B' ' 12' ' ' THR . 42.2 mt-10 -84.38 -52.81 5.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.354 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' B' ' 18' ' ' GLU . 85.6 mtm-85 -60.82 -46.99 88.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.498 -177.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.462 HG23 ' N ' ' B' ' 17' ' ' THR . 32.8 m -42.7 -39.75 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.641 0.258 . . . . 1.0 111.273 -178.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.462 ' N ' HG23 ' B' ' 16' ' ' VAL . 18.5 p -62.36 -34.12 76.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 1.0 110.776 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 15' ' ' ARG . 13.2 tm-20 -68.76 -22.46 64.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.615 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.3 mt -74.24 -33.93 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.948 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -77.86 -59.56 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.851 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -46.86 -32.3 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.103 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.454 ' O ' ' CZ ' ' B' ' 28' ' ' ARG . . . -59.31 -22.1 60.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.091 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -94.0 30.32 1.9 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.71 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.42 -87.16 0.02 OUTLIER Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.536 -0.626 . . . . 1.0 111.536 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 26' ' ' TYR . 9.7 t0 -41.88 150.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.36 . . . . 1.0 111.265 -177.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.446 ' N ' ' OD1' ' B' ' 25' ' ' ASP . 41.3 p90 -86.94 -14.72 41.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.624 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.526 ' OD1' ' N ' ' B' ' 28' ' ' ARG . 22.0 p30 -79.49 -39.25 32.56 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.962 -0.295 . . . . 1.0 111.248 -177.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.526 ' N ' ' OD1' ' B' ' 27' ' ' ASN . 11.2 ptm180 -68.15 -37.5 81.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 1.0 111.0 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 17.3 tt -77.0 -22.16 14.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.674 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -67.91 -28.3 67.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.967 0.413 . . . . 1.0 110.133 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.26 -40.41 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.304 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 46.0 mtt -57.26 -30.07 64.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.187 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -71.07 -28.94 64.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.973 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.447 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -68.72 -55.39 11.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.875 -0.602 . . . . 1.0 109.949 178.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -53.52 -23.1 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.942 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -71.17 -50.07 37.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 1.0 110.548 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.6 -34.87 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.477 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t 170.26 156.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.411 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.75 159.46 34.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.509 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.23 172.26 18.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.702 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 94.1 p -92.85 152.0 19.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.415 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.574 HG13 ' N ' ' B' ' 43' ' ' GLY . 14.1 p -50.58 -47.19 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.958 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.574 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -65.75 -30.88 78.22 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 120.967 -0.635 . . . . 1.0 111.549 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -75.73 -36.98 59.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.734 0.272 . . . . 1.0 111.734 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.651 ' C ' HD12 ' B' ' 45' ' ' ILE . 2.4 pp -81.08 -12.7 12.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 121.028 -0.269 . . . . 1.0 110.834 -178.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.637 ' N ' HD12 ' B' ' 45' ' ' ILE . 5.3 t -60.35 -5.84 1.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.92 0.391 . . . . 1.0 110.375 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.413 ' H ' ' C ' ' B' ' 45' ' ' ILE . 1.6 m-70 -82.3 -10.36 59.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.561 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -73.84 -55.57 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.333 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 pp -172.99 -17.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.551 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' B' ' 46' ' ' SER . 34.1 m120 -85.69 143.76 28.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.147 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.436 ' C ' HD12 ' B' ' 51' ' ' LEU . 0.3 OUTLIER -149.48 29.92 0.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.036 -0.357 . . . . 1.0 110.036 -178.909 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.406 ' C ' ' N ' ' B' ' 54' ' ' SER . 10.9 t -142.27 96.13 2.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.203 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -48.66 -17.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.86 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.406 ' N ' ' C ' ' B' ' 52' ' ' SER . 32.6 t -85.33 -40.73 16.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.303 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -73.86 -42.77 60.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.15 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.53 HG13 ' N ' ' B' ' 57' ' ' SER . 10.9 p -72.39 -43.54 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.978 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.53 ' N ' HG13 ' B' ' 56' ' ' VAL . 42.6 t -59.41 -23.98 63.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.954 0.407 . . . . 1.0 110.529 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -78.64 -55.1 5.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.257 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -47.38 -50.81 21.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.855 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.2 mt -55.16 -32.11 61.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.891 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -69.5 -38.17 77.51 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.776 -0.369 . . . . 1.0 110.735 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -69.64 -36.15 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.682 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 tp -76.54 -29.55 56.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 1.0 110.362 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.13 -50.0 59.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 1.0 109.97 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.44 ' C ' ' H ' ' B' ' 67' ' ' HIS . 18.4 p -50.77 -40.5 55.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.773 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.1 -1.1 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.115 0.484 . . . . 1.0 109.836 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.44 ' H ' ' C ' ' B' ' 65' ' ' SER . 14.4 t60 73.0 15.66 4.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.294 -0.866 . . . . 1.0 112.25 175.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' B' ' 68' ' ' LEU . 7.3 mp -83.36 -103.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.947 -0.39 . . . . 1.0 109.947 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 31.6 m -52.95 157.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.956 0.408 . . . . 1.0 110.952 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -152.73 126.96 9.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.892 -0.594 . . . . 1.0 110.148 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.67 133.21 48.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.696 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -121.22 161.4 21.98 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.177 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -88.79 123.21 32.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.212 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' GLN . . . . . 0.415 ' O ' ' OG ' ' B' ' 77' ' ' SER . 39.8 tt0 -152.8 104.25 2.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.538 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 56.46 52.03 52.65 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.094 -0.802 . . . . 1.0 111.094 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 54.98 5.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.612 0.244 . . . . 1.0 111.095 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' SER . . . . . 0.492 ' H ' ' C ' ' B' ' 75' ' ' GLY . 13.1 p -107.81 120.1 41.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.774 0.321 . . . . 1.0 110.262 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.421 ' O ' ' CE1' ' B' ' 80' ' ' TYR . 49.9 mtt -85.49 87.71 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.549 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.466 HG22 ' N ' ' B' ' 80' ' ' TYR . 97.3 mt -80.64 155.9 4.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.389 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.466 ' N ' HG22 ' B' ' 79' ' ' ILE . 9.0 m-85 -125.3 137.96 54.08 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.418 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 11.0 m -147.99 178.28 8.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.421 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -69.76 164.28 23.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.88 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -81.08 -45.76 16.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.582 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' B' ' 85' ' ' ILE . 20.3 t70 -172.68 -169.29 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.199 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.488 ' H ' ' CG ' ' B' ' 84' ' ' ASP . 12.0 mm -77.68 86.35 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 1.0 110.611 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' B' ' 85' ' ' ILE . 71.6 m-70 -159.39 -86.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.827 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 24.6 m -46.09 -20.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.532 . . . . 1.0 111.328 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.07 -55.37 35.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 1.0 110.829 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 69.4 p -66.89 -30.78 71.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.053 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 26.3 ttt -51.85 -53.47 40.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.646 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.72 -43.85 76.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.466 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -65.85 -67.88 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 1.0 110.674 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -41.09 -26.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.311 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.8 -70.25 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.041 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.0 tt -60.82 -19.11 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.694 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -76.5 -23.83 53.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.337 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -70.41 -56.69 6.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.671 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.42 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.924 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.958 -178.779 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.0 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 1.0 110.59 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -78.38 -64.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.512 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.3 p -57.4 -28.44 63.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.483 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -58.11 -60.34 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.117 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -50.18 -24.43 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.591 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -78.82 -20.7 49.07 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.819 -0.353 . . . . 1.0 110.908 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.7 -18.18 23.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.379 . . . . 1.0 110.111 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 23.6 p -89.14 -59.61 2.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.388 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' N ' ' OG1' ' A' ' 17' ' ' THR . 77.4 tt0 -39.66 -34.65 0.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.915 -177.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 pt -62.31 -35.61 70.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.428 -0.509 . . . . 1.0 110.524 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -79.46 -59.28 2.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.709 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 6.7 mmmm -48.95 -28.51 3.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.267 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.52 -26.77 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.645 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 23' ' ' LEU . 7.1 mp -92.63 -17.51 24.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.175 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.34 73.39 0.01 OUTLIER Glycine 0 CA--C 1.527 0.831 0 CA-C-N 115.884 -0.598 . . . . 1.0 111.712 -177.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' LEU . 30.5 t0 -173.79 123.52 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.96 0.41 . . . . 1.0 110.251 178.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -53.27 -31.95 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.753 -0.658 . . . . 1.0 112.316 -176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.473 ' ND2' ' CG ' ' A' ' 25' ' ' ASP . 10.7 p30 -82.03 -38.84 24.39 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.853 -0.339 . . . . 1.0 111.712 -176.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.2 -33.24 65.27 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.735 -0.386 . . . . 1.0 111.128 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.0 tp -74.08 -36.29 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 1.0 111.319 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -70.58 -34.26 72.0 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.939 -0.304 . . . . 1.0 111.598 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 23.9 pt -74.72 -23.83 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.613 -0.435 . . . . 1.0 110.226 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.1 tpt -68.55 -35.59 77.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.24 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -67.14 -27.63 67.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.452 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.428 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -73.94 -60.31 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.223 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.7 mt -50.81 -17.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.491 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.5 m -74.16 -65.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.708 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.6 m -54.4 -37.78 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.703 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.5 p -169.3 151.14 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 1.0 110.716 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.66 169.71 5.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.554 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.86 144.29 18.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.524 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 t -79.05 172.2 14.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.316 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.595 HG13 ' N ' ' A' ' 43' ' ' GLY . 7.4 p -59.47 -55.83 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.803 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.595 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -74.54 -20.1 79.66 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.767 -0.73 . . . . 1.0 111.645 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -75.97 -37.72 58.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.807 0.303 . . . . 1.0 111.741 -176.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.9 tt -77.73 -13.54 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.599 -0.44 . . . . 1.0 110.454 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -59.36 -57.73 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.643 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -58.21 -19.56 34.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.681 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -72.71 3.24 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.05 0.452 . . . . 1.0 110.051 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -155.32 -3.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.488 -0.56 . . . . 1.0 109.488 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.6 t30 51.67 82.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.811 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.424 ' CD2' HD22 ' A' ' 55' ' ' ASN . 2.0 tp -165.09 -167.78 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.132 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.3 t -85.19 152.11 23.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.504 -0.316 . . . . 1.0 110.576 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -76.83 -20.3 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.954 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.438 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 22.9 p -75.07 -28.47 60.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.779 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.424 HD22 ' CD2' ' A' ' 51' ' ' LEU . 99.2 m-20 -69.94 -44.91 68.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.923 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 57' ' ' SER . 24.8 m -76.1 -40.28 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.808 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.469 ' N ' HG23 ' A' ' 56' ' ' VAL . 58.4 m -55.51 -31.99 62.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.102 0.477 . . . . 1.0 110.299 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 54' ' ' SER . 5.4 m-70 -69.12 -35.42 76.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.35 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -64.81 -51.4 62.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.957 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 60' ' ' LEU . 20.5 mt -46.8 -31.91 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.624 -0.262 . . . . 1.0 111.044 -178.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -69.24 -42.34 75.79 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.499 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.0 mt -61.56 -55.93 25.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.604 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 63' ' ' LEU . 10.4 mp -55.3 -32.48 62.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.542 -0.299 . . . . 1.0 110.273 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -66.03 -30.48 71.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.712 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.6 p -67.44 -39.24 85.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.671 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.4 t -80.35 35.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.437 . . . . 1.0 110.314 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 58.0 t-80 47.72 11.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 66' ' ' VAL . 7.3 tp -101.79 144.01 31.0 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.935 -0.394 . . . . 1.0 109.935 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 70' ' ' LYS . 59.8 t 59.22 156.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 1.0 110.86 -178.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.486 ' N ' HG12 ' A' ' 69' ' ' VAL . 25.3 pttm -164.08 157.52 18.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.26 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.74 150.22 28.64 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.923 0.392 . . . . 1.0 110.838 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -147.79 114.03 5.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.958 -0.565 . . . . 1.0 109.933 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 145.06 48.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.344 0.592 . . . . 1.0 111.603 -173.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -152.84 100.4 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.941 -1.027 . . . . 1.0 110.059 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.93 -116.51 4.35 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -111.67 -29.17 7.82 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.907 0.384 . . . . 1.0 110.254 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.0 m -88.43 149.3 23.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.819 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.518 ' O ' ' CE1' ' A' ' 80' ' ' TYR . 65.7 mtt -96.94 102.92 14.79 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.123 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.726 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.6 mp -86.46 135.78 24.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.507 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' A' ' 78' ' ' MET . 19.6 m-85 -118.19 152.9 34.77 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.063 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 91.1 p -159.17 -173.31 4.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.673 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.545 ' N ' HD22 ' A' ' 82' ' ' LEU . 3.0 mm? -69.87 156.24 39.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.368 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -65.52 -38.77 90.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.331 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 17.8 t70 -165.38 -176.9 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.712 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.457 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 13.8 pt -83.35 9.01 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.521 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 88' ' ' ALA . 50.5 m170 -83.37 -82.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.835 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 m -46.14 -19.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.802 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 86' ' ' HIS . . . -60.2 -53.47 57.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.521 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.5 p -58.8 -46.24 88.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.638 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.9 ttp -46.66 -40.06 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.631 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 10.6 tp -61.47 -49.49 76.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.469 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 94' ' ' ALA . 9.1 mtpm? -61.38 -60.69 3.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.82 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -43.36 -17.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.214 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -77.71 -49.42 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.977 -0.289 . . . . 1.0 110.723 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.626 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.6 mp -64.09 -13.9 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.64 -0.504 . . . . 1.0 109.64 178.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -75.13 -64.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.014 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -55.77 -21.35 18.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 1.0 110.547 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.91 -26.19 29.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.421 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.624 -179.906 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.756 0.313 . . . . 1.0 110.923 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -58.94 -36.24 74.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.578 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.531 HG23 ' N ' ' B' ' 13' ' ' LEU . 13.6 t -73.69 -44.64 56.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.605 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.531 ' N ' HG23 ' B' ' 12' ' ' THR . 38.3 tp -45.55 -26.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.454 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -88.72 -45.3 9.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.663 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -59.3 -45.88 90.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.943 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.427 HG23 ' N ' ' B' ' 17' ' ' THR . 34.0 m -50.73 -39.35 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.549 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.427 ' N ' HG23 ' B' ' 16' ' ' VAL . 18.2 m -55.64 -37.05 67.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.546 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -63.68 -27.05 68.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.828 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.472 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 64.2 mt -65.95 -38.1 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.495 -0.32 . . . . 1.0 110.768 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.429 ' C ' ' N ' ' B' ' 22' ' ' ALA . 75.0 m-85 -67.64 -62.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 1.0 110.644 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -49.6 -14.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.796 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -64.04 -37.42 87.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.066 -178.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -74.18 -76.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.578 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.73 -102.64 0.1 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.624 -0.59 . . . . 1.0 111.624 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.26 119.33 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 1.0 111.702 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.577 ' CE1' ' ND2' ' B' ' 27' ' ' ASN . 41.2 p90 -65.6 -16.24 63.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.182 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.577 ' ND2' ' CE1' ' B' ' 26' ' ' TYR . 69.4 m-80 -79.32 -31.23 43.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.952 0.406 . . . . 1.0 110.371 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -66.77 -43.1 84.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.914 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 15.7 pt -73.32 -25.45 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.22 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -65.76 -31.81 72.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.058 0.456 . . . . 1.0 110.196 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 87.5 mt -73.36 -28.36 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.203 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 26.2 ttt -70.83 -36.95 73.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -61.7 -63.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.079 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.27 -22.8 53.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.467 -0.333 . . . . 1.0 111.173 -177.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -81.27 -42.29 20.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.957 0.408 . . . . 1.0 110.086 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 28.5 t -53.62 -40.71 65.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.853 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 24.1 m -72.75 -28.75 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.7 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -161.01 111.89 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.818 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -46.39 167.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.613 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.91 147.83 23.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.921 0.391 . . . . 1.0 110.837 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.45 ' O ' ' CD1' ' B' ' 45' ' ' ILE . 9.5 m -79.25 -159.0 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.727 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 72.1 t -80.37 -65.63 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.75 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' B' ' 45' ' ' ILE . . . -62.15 -49.85 70.87 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.543 -0.623 . . . . 1.0 111.543 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -42.94 -20.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.791 -0.241 . . . . 1.0 111.405 -178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' B' ' 43' ' ' GLY . 90.7 mt -81.87 -33.57 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.552 -0.295 . . . . 1.0 111.208 -178.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 12.8 p -46.72 -42.7 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 1.0 111.097 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.44 ' N ' ' ND1' ' B' ' 47' ' ' HIS . 0.8 OUTLIER -69.33 -15.62 63.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.478 -178.742 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -73.58 -57.35 4.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.872 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 36.5 tp -173.88 -16.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.027 0.441 . . . . 1.0 110.537 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.594 ' N ' HD22 ' B' ' 50' ' ' ASN . 1.6 m120 -81.33 -11.19 59.39 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.398 0.518 . . . . 1.0 112.398 -176.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.498 HD12 ' N ' ' B' ' 51' ' ' LEU . 10.2 mp 42.41 -89.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.911 0.386 . . . . 1.0 110.891 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.542 ' N ' ' O ' ' B' ' 50' ' ' ASN . 13.2 p -56.39 128.64 36.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.366 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -76.04 -24.73 55.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.224 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.4 m -72.15 -27.91 62.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.874 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -69.88 -44.5 69.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.144 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.14 -36.33 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 1.0 110.86 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.5 m -62.88 -38.34 90.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.711 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -69.06 -58.42 4.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.896 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -54.25 -40.17 67.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.962 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.7 -31.67 71.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.589 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -67.51 -32.6 73.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.871 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 8.8 tp -67.27 -38.56 85.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.718 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 13.6 mt -65.58 -25.69 67.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.779 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -74.68 -28.5 60.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.553 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 6.8 m -66.94 -35.67 80.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.611 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.443 ' O ' HG12 ' B' ' 66' ' ' VAL . 25.1 t -79.44 -0.78 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.354 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 75.94 8.12 3.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.458 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' B' ' 69' ' ' VAL . 20.6 mt -62.41 -118.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.388 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' B' ' 68' ' ' LEU . 33.5 m -41.79 168.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.961 0.41 . . . . 1.0 111.421 -178.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -141.32 145.85 35.98 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.158 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ALA . . . . . 0.428 ' HB2' ' CD2' ' B' ' 80' ' ' TYR . . . -106.46 134.9 48.89 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.977 -178.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -105.38 131.55 52.68 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.066 -0.516 . . . . 1.0 109.881 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -89.8 120.49 31.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.846 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -137.41 88.84 2.37 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.67 -164.2 42.68 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.443 -1.063 . . . . 1.0 110.443 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.86 -9.88 11.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 1.0 110.384 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 43.9 t -96.28 115.64 27.75 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.757 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 54.5 mtm -98.43 140.27 32.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.177 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.6 pt -139.51 162.25 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.398 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.534 ' N ' ' CD1' ' B' ' 80' ' ' TYR . 8.5 m-85 -131.49 165.97 22.39 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.468 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 18.8 m -159.84 -172.57 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.708 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 25.8 mt -61.78 172.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.398 . . . . 1.0 110.785 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 0.5 OUTLIER -81.49 -72.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.497 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.548 ' CG ' ' HD1' ' B' ' 86' ' ' HIS . 30.2 p30 -161.91 -170.76 2.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 1.0 109.764 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.514 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 18.3 pt -71.88 58.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.882 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.548 ' HD1' ' CG ' ' B' ' 84' ' ' ASP . 33.1 m80 -146.03 -41.59 0.21 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.274 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.426 HG23 ' N ' ' B' ' 88' ' ' ALA . 28.8 m -81.12 -37.15 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.727 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.426 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -67.42 -34.39 77.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.848 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 25.7 p -67.07 -64.72 0.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.686 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -46.96 -22.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.839 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -67.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.357 -178.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -65.74 -8.87 23.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.098 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.412 ' OE1' ' O ' ' B' ' 93' ' ' GLN . 1.3 tm0? -85.47 -31.33 22.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.877 0.37 . . . . 1.0 110.208 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.18 -52.03 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.261 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 9.9 tp -53.38 -26.93 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.008 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -68.86 -42.19 77.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.036 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -70.84 -26.07 63.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.64 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.54 -33.78 60.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.762 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 34.0 t30 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.812 -179.305 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.736 0.303 . . . . 1.0 110.723 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -68.12 -61.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.259 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.4 p -55.36 -32.97 63.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.406 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.2 tt -63.19 -17.08 62.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.252 0.549 . . . . 1.0 109.755 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -80.86 -14.68 57.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.869 -0.789 . . . . 1.0 108.869 174.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -96.55 -32.15 12.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.075 -0.966 . . . . 1.0 111.851 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.7 m -73.26 -12.81 15.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.258 -0.577 . . . . 1.0 110.562 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.9 m -88.75 -70.12 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.564 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -46.46 -31.55 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.489 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.485 HG23 ' N ' ' A' ' 20' ' ' PHE . 17.8 tt -51.78 -42.32 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.345 . . . . 1.0 110.703 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.485 ' N ' HG23 ' A' ' 19' ' ' ILE . 59.2 m-85 -73.42 -49.52 26.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.803 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -46.66 -25.83 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.922 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.22 68.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.917 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -85.91 -6.76 59.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.735 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.58 -64.39 1.62 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.405 -0.678 . . . . 1.0 111.405 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -44.6 110.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.877 0.37 . . . . 1.0 110.963 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.522 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 41.4 p90 -63.26 -18.85 64.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.938 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.522 ' ND2' ' CZ ' ' A' ' 26' ' ' TYR . 13.1 m-80 -77.79 -38.25 47.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.79 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -72.77 -50.71 22.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.991 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.427 HD12 ' SD ' ' A' ' 32' ' ' MET . 10.2 tp -54.98 -28.76 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.581 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -68.69 -28.49 66.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.693 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.9 mt -75.4 -33.05 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.415 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.427 ' SD ' HD12 ' A' ' 29' ' ' ILE . 52.6 mtt -65.06 -35.41 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.571 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.07 -39.07 88.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.661 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.66 -59.18 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.384 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 41.2 mt -54.27 -20.39 6.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.728 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -70.02 -43.52 71.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.465 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.0 t -76.55 -29.44 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.537 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.0 p -173.45 130.87 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.826 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -72.13 155.16 40.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.496 179.162 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.36 -177.59 6.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.841 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 m -95.37 155.85 16.57 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.197 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -49.02 -42.26 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.398 -0.364 . . . . 1.0 111.304 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.99 -42.38 94.75 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 121.198 -0.525 . . . . 1.0 112.368 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -70.08 -34.76 73.58 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 122.636 -0.332 . . . . 1.0 111.746 -175.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.484 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 31.0 pt -73.35 -13.21 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.276 -0.57 . . . . 1.0 109.981 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 50' ' ' ASN . 14.9 t -57.65 -15.29 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.455 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -60.32 -10.83 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.023 0.439 . . . . 1.0 110.167 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 45' ' ' ILE . 2.8 mp0 -96.01 -57.17 2.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.534 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 49' ' ' LEU . 9.4 mp -82.58 -38.06 24.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.668 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' SER . 7.5 p30 43.87 90.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.633 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 tp -169.66 -143.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.931 -0.577 . . . . 1.0 109.706 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 t -73.64 134.75 43.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 1.0 110.395 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -74.68 -18.76 60.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.748 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 76.9 p -80.77 -25.06 38.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.474 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -74.04 -44.45 54.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.525 . . . . 1.0 111.027 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.4 p -70.75 -35.24 59.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.821 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.8 p -70.87 -32.8 69.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.84 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 54' ' ' SER . 1.6 m-70 -65.63 -49.52 68.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.781 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.6 -20.97 63.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.807 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.68 -35.97 82.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.844 0.354 . . . . 1.0 110.055 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -71.13 -37.34 72.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.407 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.506 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.3 tt -50.22 -51.37 44.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.242 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.99 -19.84 65.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.255 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -69.76 -14.59 62.85 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.529 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.475 ' C ' ' H ' ' A' ' 67' ' ' HIS . 18.5 p -73.7 -52.62 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.535 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.406 HG23 ' H ' ' A' ' 68' ' ' LEU . 9.2 m -68.38 6.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.417 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.475 ' H ' ' C ' ' A' ' 65' ' ' SER . 54.6 t60 58.57 13.99 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.024 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.406 ' H ' HG23 ' A' ' 66' ' ' VAL . 6.7 tp -74.52 -11.81 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 1.0 110.421 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 70' ' ' LYS . 47.0 t -138.61 158.23 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.28 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.48 ' N ' HG12 ' A' ' 69' ' ' VAL . 52.6 tttp -143.96 135.33 25.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.16 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.89 143.99 31.77 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.74 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -127.56 143.82 51.13 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.146 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -90.22 124.87 35.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.6 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.42 ' OE1' ' O ' ' A' ' 74' ' ' GLN . 11.0 tm0? -148.69 89.18 1.67 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.266 -0.425 . . . . 1.0 109.86 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.61 176.45 42.68 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.319 -1.112 . . . . 1.0 110.319 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -49.62 -19.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 1.0 110.446 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 m -91.13 134.39 34.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.749 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.526 ' O ' ' CE2' ' A' ' 80' ' ' TYR . 24.9 mtt -95.66 96.09 8.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.318 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.4 mt -80.19 149.95 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.561 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.526 ' CE2' ' O ' ' A' ' 78' ' ' MET . 55.4 m-85 -130.55 149.54 52.16 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.07 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 82' ' ' LEU . 92.0 p -159.22 -172.17 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 1.0 110.705 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 81' ' ' SER . 14.5 mt -59.74 -145.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.543 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 40.4 p30 -173.52 -18.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.863 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 83' ' ' ASP . 6.9 m-20 -160.96 149.91 16.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.888 0.375 . . . . 1.0 110.522 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.5 pt -81.57 63.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.655 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -149.35 -25.73 0.28 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.636 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.532 HG23 ' N ' ' A' ' 88' ' ' ALA . 34.8 m -70.39 -44.85 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.817 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.532 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -61.53 -52.39 64.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.752 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 93' ' ' GLN . 11.2 p -54.99 -43.85 73.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.83 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 9.9 ttt -46.43 -47.91 18.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.015 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.3 mt -66.05 -53.66 35.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.832 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -70.68 -16.26 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.124 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 89' ' ' THR . 41.0 tt0 -83.14 -32.2 26.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.92 0.391 . . . . 1.0 110.623 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.41 -55.67 7.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.692 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.0 tt -58.22 -25.79 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.692 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -67.31 -31.61 72.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.843 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -72.45 -60.25 2.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.775 -0.37 . . . . 1.0 110.692 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.33 -77.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.852 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.001 -178.996 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.865 0.364 . . . . 1.0 110.791 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -72.97 -34.49 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.775 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -55.65 -67.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.766 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.479 ' N ' HD12 ' B' ' 13' ' ' LEU . 8.3 mp -45.38 -35.09 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.439 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.17 -46.69 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.039 0.447 . . . . 1.0 110.636 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 51.5 ttm-85 -64.15 -30.83 71.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.859 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 83.5 t -67.33 -63.11 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.425 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -48.65 -36.1 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.53 -0.468 . . . . 1.0 110.666 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -59.47 -24.15 63.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.792 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 84.2 mt -62.89 -56.95 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.727 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -53.51 -54.03 42.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.671 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -45.1 -37.79 4.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.936 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.56 -31.51 68.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.666 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.584 ' N ' HD12 ' B' ' 23' ' ' LEU . 7.1 mp -92.23 -17.85 24.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 1.0 109.959 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.11 75.29 0.01 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.18 -0.768 . . . . 1.0 111.18 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' B' ' 23' ' ' LEU . 11.2 m-20 -167.08 164.45 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -88.18 -71.57 0.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.919 0.39 . . . . 1.0 111.968 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.456 HD21 HD22 ' B' ' 49' ' ' LEU . 13.7 t30 -66.39 -22.02 66.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 1.0 112.419 -173.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -73.3 -33.19 65.06 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.557 -0.457 . . . . 1.0 110.985 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' B' ' 25' ' ' ASP . 82.6 mt -71.22 -33.72 51.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.964 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -64.82 -29.93 70.91 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.699 -0.4 . . . . 1.0 110.582 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 89.1 mt -74.78 -53.5 16.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.596 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 54.2 mtt -47.49 -42.31 22.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.665 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -55.66 -56.42 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.692 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.522 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -66.2 -38.44 87.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.103 0.477 . . . . 1.0 110.398 -179.043 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.434 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -59.08 -62.47 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.637 -178.737 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -48.91 -64.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.753 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 22.8 m -50.89 -22.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 1.0 112.012 -175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 24.4 t -166.22 112.55 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.26 -0.576 . . . . 1.0 111.693 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.56 147.83 40.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.444 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.72 178.23 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.568 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.1 t -96.63 157.51 15.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.136 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 88.8 t -51.07 -50.18 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.805 0.336 . . . . 1.0 110.642 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.07 -43.45 95.15 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.419 -0.673 . . . . 1.0 111.419 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -67.0 -32.43 73.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 1.0 110.883 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 94.5 mt -70.13 -23.38 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.144 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.524 ' O ' ' N ' ' B' ' 50' ' ' ASN . 27.4 t -48.19 -48.14 34.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 1.0 110.504 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -51.25 -19.33 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.927 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -90.74 -22.23 21.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.623 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.456 HD22 HD21 ' B' ' 27' ' ' ASN . 10.7 tp -160.02 55.8 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.204 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 46' ' ' SER . 3.1 m120 -43.27 106.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.317 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.461 HD23 ' C ' ' B' ' 51' ' ' LEU . 2.0 tt -168.38 108.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.361 178.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.437 ' C ' ' O ' ' B' ' 51' ' ' LEU . 4.6 m 5.14 111.74 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.72 1.262 . . . . 1.0 113.981 -178.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.592 ' H ' ' CD ' ' B' ' 53' ' ' GLN . 20.2 mp0 -44.48 -41.98 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.937 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 34.1 t -44.34 -38.97 4.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 1.0 110.908 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -70.02 -42.19 73.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 57.0 t -71.93 -38.3 64.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.033 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -57.92 -31.95 67.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.495 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -78.08 -52.07 9.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.246 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -55.79 -53.27 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.728 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 tp -52.43 -35.24 51.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 1.0 110.836 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -57.83 -27.71 63.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.694 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 27.4 tp -81.89 -45.12 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.694 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.522 ' N ' HD12 ' B' ' 63' ' ' LEU . 10.4 mp -61.55 -37.43 83.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.663 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -75.35 -18.8 59.9 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.336 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.464 ' C ' ' H ' ' B' ' 67' ' ' HIS . 8.1 t -65.81 -54.21 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.566 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.53 HG22 ' O ' ' B' ' 66' ' ' VAL . 4.0 p -63.1 -0.49 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.208 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' B' ' 65' ' ' SER . 1.0 OUTLIER 71.48 13.7 6.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.668 -0.697 . . . . 1.0 111.287 177.106 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.426 ' H ' HG13 ' B' ' 66' ' ' VAL . 39.3 tp -65.52 -14.49 61.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.122 0.486 . . . . 1.0 109.945 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.46 HG12 ' N ' ' B' ' 70' ' ' LYS . 21.9 t -134.41 160.12 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.866 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.46 ' N ' HG12 ' B' ' 69' ' ' VAL . 86.5 tttt -140.63 120.95 13.97 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.872 0.367 . . . . 1.0 110.551 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.75 162.06 13.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.027 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -144.69 159.53 42.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.377 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -80.78 99.83 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.704 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -121.0 106.34 11.5 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.877 -0.416 . . . . 1.0 109.877 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 66.15 -166.82 36.59 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.195 -1.162 . . . . 1.0 110.195 -177.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -80.02 29.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.786 0.327 . . . . 1.0 110.361 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' SER . . . . . 0.415 ' H ' ' C ' ' B' ' 75' ' ' GLY . 19.6 m -139.55 152.92 47.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.071 0.462 . . . . 1.0 110.792 -178.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 7.7 ttt -94.67 120.56 35.09 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.442 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 18.7 tt -109.12 138.97 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.326 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -107.44 135.77 48.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.529 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.4 t -161.82 -166.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.366 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.516 ' C ' HD12 ' B' ' 82' ' ' LEU . 0.8 OUTLIER -174.04 177.03 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.514 179.448 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.455 ' O ' ' CB ' ' B' ' 84' ' ' ASP . 8.7 m-20 -66.26 -83.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.289 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' B' ' 83' ' ' ASP . 0.6 OUTLIER 97.09 -165.66 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 O-C-N 124.476 1.11 . . . . 1.0 110.429 -179.533 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.428 HD13 HG21 ' B' ' 85' ' ' ILE . 1.0 OUTLIER 81.52 -38.95 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 109.268 -0.641 . . . . 1.0 109.268 -177.72 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -92.18 -88.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.317 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.502 HG23 ' N ' ' B' ' 88' ' ' ALA . 34.6 m -46.4 -42.57 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.092 -178.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.502 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -44.43 -40.0 5.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 1.0 110.828 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 68.2 p -68.15 -36.72 80.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.423 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' MET . . . . . 0.428 ' N ' ' O ' ' B' ' 87' ' ' VAL . 34.4 ttp -47.14 -35.15 6.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.394 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.8 mt -70.48 -52.8 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.406 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.404 ' HZ2' ' HB2' ' B' ' 92' ' ' LYS . 1.0 OUTLIER -63.68 -56.12 18.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.979 -179.739 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -43.05 -30.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.189 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.1 -62.71 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.886 -0.326 . . . . 1.0 110.45 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.44 -20.73 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.409 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' HIS . . . . . 0.428 ' C ' ' HD1' ' B' ' 96' ' ' HIS . 1.2 t-80 -68.87 -54.42 15.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.763 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -67.34 -10.35 50.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.46 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.45 -35.36 25.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.528 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.283 -179.69 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.823 0.344 . . . . 1.0 110.676 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -70.68 -59.01 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.554 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.2 m -62.17 -28.47 69.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.6 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.45 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -53.08 -67.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.376 -179.585 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.36 -19.82 65.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.408 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -58.3 -33.07 69.06 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.639 -0.424 . . . . 1.0 110.492 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.41 -38.8 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.728 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.0 p -68.87 -38.82 79.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.552 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -56.51 -23.73 41.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.704 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.4 mt -71.0 -42.41 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.756 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -70.67 -57.78 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.899 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -49.3 -41.47 38.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.702 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.22 -27.31 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.619 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 24' ' ' GLY . 35.5 mt -71.56 -76.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.23 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . 56.02 157.54 0.01 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.3 -0.72 . . . . 1.0 111.3 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 24' ' ' GLY . 12.3 m-20 59.14 128.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 1.0 111.011 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 27' ' ' ASN . 42.8 p90 -75.88 -29.86 58.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.489 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.479 HD21 ' CD2' ' A' ' 49' ' ' LEU . 37.7 t-20 -63.57 -40.74 97.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.621 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -65.0 -43.1 93.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.821 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.16 -20.06 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.795 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -73.59 -31.46 63.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 1.0 110.308 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.22 -38.55 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.139 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.9 tpt -61.8 -31.57 71.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.511 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -60.13 -44.37 94.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.68 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.2 tp -59.23 -51.06 71.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.516 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 mt -46.28 -37.28 7.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.72 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -61.11 -62.52 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 1.0 110.847 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -49.72 -48.93 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.809 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 t -166.49 152.27 8.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 23.7 mp0 -53.88 168.35 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.524 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.29 132.19 8.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.67 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.4 t -76.34 171.31 14.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.531 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.599 HG13 ' N ' ' A' ' 43' ' ' GLY . 7.0 p -58.27 -56.61 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.778 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.599 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -66.28 -41.74 94.5 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.168 -0.773 . . . . 1.0 111.168 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.457 ' O ' ' ND1' ' A' ' 44' ' ' HIS . 19.4 t-80 -47.74 -29.13 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.677 0.275 . . . . 1.0 110.778 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.5 mt -75.07 -33.95 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.63 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' ASN . 8.6 t -44.16 -55.01 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 1.0 111.031 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -67.8 -22.72 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.102 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -65.85 -26.18 67.54 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.577 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD2' HD21 ' A' ' 27' ' ' ASN . 6.1 tp -164.59 48.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.742 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.471 ' CG ' ' H ' ' A' ' 51' ' ' LEU . 34.4 t-20 54.02 -141.78 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.036 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 51' ' ' LEU . 10.1 mp 53.79 -175.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 -177.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.3 p -128.85 -165.1 1.46 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.578 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -73.76 -38.66 64.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.861 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.3 p -48.66 -43.46 36.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.866 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -66.97 -42.52 84.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.928 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.2 t -67.7 -42.61 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.673 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.9 p -57.1 -46.08 82.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.371 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -65.99 -30.38 70.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.695 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 61' ' ' LYS . 28.0 tt0 -70.67 -69.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.567 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 54.5 mt -44.52 -16.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.902 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 59' ' ' GLN . 5.9 tppt? -74.87 -45.3 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.687 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.86 -40.72 95.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.636 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.561 ' N ' HD22 ' A' ' 63' ' ' LEU . 3.2 mm? -66.5 -35.61 80.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -49.43 -44.88 45.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.594 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 t -54.31 -51.33 65.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.533 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.6 t -75.44 -15.46 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.397 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.0 t60 59.18 26.98 15.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.769 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -67.46 -13.55 62.13 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.754 -0.462 . . . . 1.0 109.754 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.3 m -131.63 146.54 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.246 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 81' ' ' SER . 34.7 ttpt -117.77 158.16 25.26 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.315 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -162.27 151.48 15.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.565 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -147.18 128.56 14.89 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.811 -0.44 . . . . 1.0 109.811 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -61.18 152.59 28.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.229 0.538 . . . . 1.0 111.826 -175.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -149.8 83.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.206 -0.907 . . . . 1.0 109.446 178.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.19 -157.64 37.18 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.882 -1.287 . . . . 1.0 109.882 -176.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -71.28 -9.73 58.59 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.791 -0.363 . . . . 1.0 110.673 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -93.04 121.93 34.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.788 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.7 mtt -85.81 91.39 8.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.144 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.1 tp -81.1 134.86 26.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.056 0.455 . . . . 1.0 110.851 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -115.23 149.27 38.01 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.158 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 70' ' ' LYS . 51.8 p -153.87 -178.77 7.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.554 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.517 HD23 ' H ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -89.65 175.63 7.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.154 -0.475 . . . . 1.0 109.863 179.635 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 17.6 t70 -71.45 -97.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.67 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 83' ' ' ASP . 16.4 m-20 -142.82 -135.44 0.1 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.408 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.518 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 24.3 mt -88.89 85.03 2.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.725 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 41.9 m80 -160.3 -40.0 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.504 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.0 m -83.32 -29.89 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.535 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.76 -58.53 7.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.686 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.47 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 2.8 t -61.05 -29.35 69.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.636 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.3 tpp -49.07 -65.55 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.744 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 91' ' ' LEU . 10.2 mp -53.34 -39.63 64.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.488 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -66.25 -71.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.745 -0.382 . . . . 1.0 110.868 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.47 ' NE2' ' OG1' ' A' ' 89' ' ' THR . 34.5 mt-30 -42.18 -26.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.43 -178.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.07 -64.09 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.111 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.5 tt -69.1 -9.89 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.872 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -68.63 -49.79 56.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.292 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -79.64 -8.89 59.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.775 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.68 -13.85 61.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.874 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 31.0 p30 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.564 -179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 41.1 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.875 0.369 . . . . 1.0 110.628 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.74 -45.89 34.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.487 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 85.0 m -68.35 -54.84 14.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.479 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.516 ' O ' HD13 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -45.7 -29.51 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.222 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.419 ' O ' ' OG1' ' B' ' 17' ' ' THR . 30.8 tt0 -65.39 -45.14 85.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.41 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -70.45 -38.67 74.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.181 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.409 ' O ' HG12 ' B' ' 16' ' ' VAL . 40.6 t -64.08 -14.31 15.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.498 -177.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 37.0 p -91.21 -34.14 15.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 1.0 110.669 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -72.5 -25.64 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 1.0 111.253 -178.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.546 HG23 ' N ' ' B' ' 20' ' ' PHE . 18.7 tt -57.19 -45.32 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.815 -0.354 . . . . 1.0 110.745 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.546 ' N ' HG23 ' B' ' 19' ' ' ILE . 89.0 m-85 -71.85 -54.61 9.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.983 -178.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -47.21 -30.85 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.529 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.429 ' O ' ' NH1' ' B' ' 28' ' ' ARG . . . -51.72 -30.36 22.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.741 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.591 ' N ' HD12 ' B' ' 23' ' ' LEU . 7.0 mp -75.9 -65.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.163 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.33 -96.47 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.51 148.99 8.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.334 . . . . 1.0 110.852 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -83.0 -24.28 32.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.64 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -56.62 -34.37 67.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.8 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' B' ' 22' ' ' ALA . 85.0 mtt180 -69.89 -27.7 65.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.575 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.4 mt -74.42 -31.91 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.879 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -64.85 -30.8 71.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 1.0 110.721 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.13 -47.25 79.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 15.5 ttt -48.89 -40.95 31.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.705 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.29 -46.32 80.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.612 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.35 -46.09 69.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.448 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 31.0 mt -76.58 -5.28 47.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.969 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.1 p -84.91 -49.78 8.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.75 0.309 . . . . 1.0 110.631 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.02 -32.52 54.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.83 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.6 m -170.8 159.16 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.683 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -69.47 168.28 14.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.258 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.42 136.42 11.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.772 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.7 t -77.95 -159.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.641 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.587 ' O ' HG22 ' B' ' 45' ' ' ILE . 76.1 t -77.03 -64.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.566 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.01 -40.44 88.69 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.162 -0.542 . . . . 1.0 112.025 -176.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -45.69 -23.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.714 -0.286 . . . . 1.0 111.548 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.587 HG22 ' O ' ' B' ' 42' ' ' VAL . 8.7 tt -72.51 -29.93 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 1.0 110.664 -178.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.514 ' O ' ' N ' ' B' ' 50' ' ' ASN . 53.3 p -45.98 -48.55 16.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.592 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -51.07 -27.06 7.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.535 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -96.31 -58.51 2.05 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.384 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.449 HD12 ' N ' ' B' ' 49' ' ' LEU . 10.1 mp -106.89 54.2 0.68 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.151 -0.477 . . . . 1.0 109.735 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' B' ' 46' ' ' SER . 51.4 t30 -41.35 107.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 1.0 111.285 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 tp -170.4 -154.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.949 -0.569 . . . . 1.0 109.502 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -75.24 132.48 41.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 1.0 110.362 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -69.52 -17.28 63.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.62 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 12.6 t -81.26 -24.97 36.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.632 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -67.16 -43.2 82.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.656 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 t -71.75 -36.42 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.615 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 45.8 p -61.45 -34.7 75.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.363 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.12 -40.79 51.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.572 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -69.92 -46.74 64.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.575 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 tp -52.78 -33.8 50.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.558 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -69.24 -36.33 77.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.28 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.469 HD23 ' O ' ' B' ' 62' ' ' LEU . 1.8 tt -60.04 -55.26 36.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 1.0 109.916 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.3 mt -51.43 -22.32 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.065 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.423 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 16.7 tptm -71.41 -28.48 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.754 -0.379 . . . . 1.0 110.408 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.8 m -48.21 -58.72 4.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.344 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -72.59 -5.63 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.16 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' B' ' 64' ' ' LYS . 28.5 m-70 60.54 21.76 11.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.368 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tp -54.38 -13.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.548 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 m -143.82 169.42 10.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.074 0.464 . . . . 1.0 110.669 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -127.93 175.25 8.51 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.747 -0.66 . . . . 1.0 109.802 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.02 134.32 26.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.536 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -128.32 143.5 51.02 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.163 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 55.6 ttp85 -93.02 146.21 23.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.751 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -151.66 93.11 1.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.266 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.3 -113.66 3.68 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.573 -1.011 . . . . 1.0 110.573 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -113.88 -27.31 7.8 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.845 0.355 . . . . 1.0 110.251 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -84.87 143.14 29.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.661 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.51 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -94.26 120.73 34.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.367 179.12 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.6 mm -100.11 149.51 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.408 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -137.57 154.02 49.86 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.401 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.7 t -159.56 -172.69 3.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.807 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -68.09 -160.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.006 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -171.68 122.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.666 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 t0 75.96 133.31 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.459 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 11.5 pt -85.02 66.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.385 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' B' ' 85' ' ' ILE . 34.2 m80 -151.63 -33.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.236 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.546 HG23 ' N ' ' B' ' 88' ' ' ALA . 10.1 m -67.5 -45.17 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.664 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.546 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -57.11 -39.54 75.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.962 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 73.9 p -66.46 -46.99 74.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.932 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 40.4 ttm -44.58 -47.41 10.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.949 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.06 -47.53 85.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.682 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -68.93 -65.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.798 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -41.59 -30.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.297 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.67 -67.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.72 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 pt -65.69 -9.35 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.43 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -71.15 -31.83 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.016 0.436 . . . . 1.0 109.917 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' HIS . . . . . 0.506 ' C ' ' H ' ' B' ' 99' ' ' ASN . 24.3 t60 -67.89 -53.59 25.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.908 -0.587 . . . . 1.0 109.944 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.04 23.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.095 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.506 ' H ' ' C ' ' B' ' 97' ' ' HIS . 10.3 t-20 . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 120.87 0.367 . . . . 1.0 110.485 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.783 0.325 . . . . 1.0 110.719 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -64.03 -43.98 93.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.502 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 14' ' ' GLU . 61.5 p -66.67 -61.21 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.587 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.7 tp -40.56 -21.37 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.004 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 12' ' ' THR . 31.5 tt0 -76.12 -54.91 6.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.73 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -64.12 -9.9 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.846 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.76 -28.69 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.741 -0.384 . . . . 1.0 111.086 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -86.86 -29.13 22.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.727 0.299 . . . . 1.0 110.736 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -71.22 -32.63 69.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.38 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 pt -64.03 -32.44 57.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.875 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' LEU . 60.8 m-85 -77.21 -53.68 7.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 1.0 110.528 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -47.94 -25.13 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.382 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.05 -34.34 29.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.432 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 24' ' ' GLY . 38.8 tp -65.77 -26.49 67.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.187 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -55.35 -122.65 0.01 OUTLIER Glycine 0 CA--C 1.526 0.777 0 CA-C-N 115.854 -0.612 . . . . 1.0 111.603 -177.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' GLY . 3.3 m-20 46.94 93.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.36 . . . . 1.0 110.292 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -50.33 -20.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.8 -178.083 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -78.38 -39.49 39.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.835 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -77.29 -44.53 29.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.336 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.535 HG23 ' N ' ' A' ' 30' ' ' ARG . 20.4 tt -52.89 -44.87 50.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.812 -0.355 . . . . 1.0 111.251 -176.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.535 ' N ' HG23 ' A' ' 29' ' ' ILE . 1.7 tmm_? -72.1 -32.64 67.19 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.513 -0.475 . . . . 1.0 110.749 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.5 mt -69.09 -28.79 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.9 tpt -62.14 -31.71 72.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.301 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.34 -36.65 84.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.41 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 tp -64.81 -60.91 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.366 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.3 mt -43.09 -39.25 2.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.94 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -54.16 -53.2 56.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 1.0 110.5 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.0 t -54.6 -45.93 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.384 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.6 p -173.97 137.42 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.475 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -44.69 161.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.847 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.89 136.41 12.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.432 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.1 m -75.68 173.23 11.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.544 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.96 -53.34 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.944 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.07 -36.92 93.07 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.349 -0.701 . . . . 1.0 111.349 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -64.44 -25.65 68.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 1.0 110.849 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 91.0 mt -81.3 -26.85 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.948 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 50' ' ' ASN . 37.9 t -56.91 -11.08 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.885 -0.326 . . . . 1.0 111.217 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -89.57 -11.47 42.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 1.0 110.333 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.526 ' O ' ' NH2' ' A' ' 30' ' ' ARG . 32.3 mm-40 -74.68 -55.55 5.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.973 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 49' ' ' LEU . 1.2 tt -161.17 -34.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 1.0 110.574 -176.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 46' ' ' SER . 6.1 m120 -81.13 141.18 34.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.982 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 51' ' ' LEU . 2.9 mm? -94.13 -60.48 1.73 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 1.0 109.961 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 t -74.09 139.89 44.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.871 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -82.23 -36.95 26.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.468 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.3 t -56.41 -30.98 63.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.479 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -66.96 -42.76 84.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.383 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 t -71.67 -38.65 67.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.577 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.2 m -63.64 -37.18 86.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.671 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -76.03 -46.4 29.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.651 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -67.93 -46.85 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.832 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 tp -55.67 -32.97 63.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.481 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -69.28 -30.93 69.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.819 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.2 tp -68.79 -33.89 74.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.246 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.1 mt -76.04 -25.46 55.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.34 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -52.72 -37.09 58.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.28 -0.418 . . . . 1.0 109.959 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 67' ' ' HIS . 69.5 m -54.22 -52.62 60.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.142 178.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.526 ' O ' ' CG ' ' A' ' 67' ' ' HIS . 2.8 t -68.13 4.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.225 0.536 . . . . 1.0 109.698 177.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 66' ' ' VAL . 20.0 p80 41.89 27.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.515 -0.766 . . . . 1.0 111.513 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.489 ' O ' HD13 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -57.12 -16.97 8.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.086 0.47 . . . . 1.0 109.859 179.566 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -147.99 178.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.345 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -151.03 129.27 11.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.452 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.54 158.89 15.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.222 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -143.11 156.85 44.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.358 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -89.42 141.17 28.8 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.177 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -152.96 122.88 6.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.898 0.38 . . . . 1.0 110.314 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.77 -136.65 44.1 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.757 -0.937 . . . . 1.0 110.757 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.447 ' CD ' ' N ' ' A' ' 76' ' ' GLN . 27.5 mp0 -99.88 19.71 15.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.729 0.3 . . . . 1.0 110.737 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.7 p -147.6 170.64 17.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.045 0.45 . . . . 1.0 110.901 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.6 mtt -118.83 149.68 41.12 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.76 -0.654 . . . . 1.0 110.102 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.7 pt -137.73 161.56 33.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.875 0.369 . . . . 1.0 110.372 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 21.2 m-85 -125.59 158.09 35.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.488 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.0 m -158.31 -174.56 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.27 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 84' ' ' ASP . 3.2 pp -95.7 161.31 14.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.141 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 33.6 t70 -58.65 -120.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.428 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.449 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 12.0 m-20 -85.22 -139.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.327 . . . . 1.0 110.347 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.0 mt -108.21 -21.32 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.046 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -49.53 -35.45 20.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.736 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 88' ' ' ALA . 30.7 m -65.73 -47.23 86.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.401 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.524 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -55.57 -23.19 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.383 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.3 m -78.49 -33.84 47.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.552 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 mmt -59.92 -31.23 69.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.477 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.76 -52.27 15.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.462 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.87 -62.8 1.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.596 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -41.9 -34.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.391 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.95 -64.44 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 1.0 110.884 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.5 pt -65.66 -7.27 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.581 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -77.39 -45.46 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.44 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -78.52 -14.7 59.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.343 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.25 -5.16 53.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.645 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.978 0.418 . . . . 1.0 110.922 -179.787 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.82 0.343 . . . . 1.0 110.671 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -64.73 -64.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.819 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.508 HG23 ' N ' ' B' ' 13' ' ' LEU . 11.1 t -72.53 -44.64 61.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.87 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.508 ' N ' HG23 ' B' ' 12' ' ' THR . 3.7 mm? -45.47 -25.14 0.39 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.993 -0.373 . . . . 1.0 109.993 178.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.432 ' OE2' ' NH1' ' B' ' 15' ' ' ARG . 31.2 tt0 -75.24 -55.25 5.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.667 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.442 ' CD ' ' N ' ' B' ' 15' ' ' ARG . 10.3 mpt_? -60.61 -40.03 90.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.816 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -51.78 -17.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.027 -0.269 . . . . 1.0 111.194 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 52.4 p -91.29 -34.63 14.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.695 0.283 . . . . 1.0 110.881 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -74.61 -19.25 60.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.654 -176.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 pt -75.7 -30.16 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.948 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -77.93 -55.35 5.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 1.0 110.465 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -47.74 -32.15 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.951 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.48 -25.06 68.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 1.0 110.649 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.0 mt -93.35 9.44 36.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.126 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.02 -79.79 0.07 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.345 -0.702 . . . . 1.0 111.345 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.69 132.92 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 1.0 111.275 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -74.01 -29.38 61.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.808 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.423 HD22 HD22 ' B' ' 49' ' ' LEU . 14.7 t-20 -55.96 -42.72 76.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.551 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.539 HH12 ' CG ' ' B' ' 59' ' ' GLN . 92.8 mtt-85 -65.55 -35.89 82.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.006 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.95 -27.03 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.08 -177.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -73.13 -35.66 66.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.903 0.382 . . . . 1.0 110.253 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 75.5 mt -66.22 -49.88 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.593 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 11.4 mmt -54.04 -29.58 44.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.593 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.3 -47.59 76.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.355 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 32.0 tp -50.49 -36.5 34.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.052 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 22.4 mt -63.39 -37.85 88.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.822 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -56.84 -32.13 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.713 0.292 . . . . 1.0 110.892 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 20.2 t -76.2 -48.31 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.818 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -179.91 146.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.574 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.605 ' H ' ' CD ' ' B' ' 39' ' ' GLU . 5.0 mp0 -49.63 159.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.529 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.73 146.15 24.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.429 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 33.8 t -79.53 162.88 25.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.548 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 44.1 t -52.03 -53.05 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.51 -28.35 73.51 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.405 -0.678 . . . . 1.0 111.405 -178.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -71.55 -37.69 71.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 1.0 110.945 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.41 HG22 ' O ' ' B' ' 45' ' ' ILE . 95.7 mt -68.28 -15.42 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.502 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -61.48 -33.54 73.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.788 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -60.13 -11.62 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.546 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -89.06 -57.52 2.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.887 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.423 HD22 HD22 ' B' ' 27' ' ' ASN . 11.6 mt -82.89 -29.48 29.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.842 -178.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 11.3 m120 59.52 87.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.387 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 tp -174.11 -146.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 67.6 m -80.85 136.56 36.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 1.0 110.336 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -61.53 -37.82 85.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.716 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 62.8 m -62.6 -16.63 57.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.721 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -64.57 -44.29 91.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.757 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 95.9 t -77.13 -34.65 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.816 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.3 p -60.21 -42.69 95.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.46 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -71.97 -39.65 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.728 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.539 ' CG ' HH12 ' B' ' 28' ' ' ARG . 12.4 tt0 -75.1 -27.46 59.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 1.0 111.051 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.39 -36.44 82.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.056 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -77.17 -34.24 56.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.637 -177.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.33 -33.46 71.15 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.409 -0.517 . . . . 1.0 110.37 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 36.0 mt -75.59 -19.88 58.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 1.0 110.114 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -69.06 -12.29 61.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.402 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.454 ' C ' ' H ' ' B' ' 67' ' ' HIS . 75.0 m -77.14 -46.74 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.118 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.431 ' H ' HG22 ' B' ' 66' ' ' VAL . 5.3 m -72.38 15.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.85 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.454 ' H ' ' C ' ' B' ' 65' ' ' SER . 4.4 m-70 72.19 9.79 5.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 1.0 112.114 176.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.579 ' O ' HG22 ' B' ' 69' ' ' VAL . 9.7 mp -100.95 160.16 14.6 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 108.747 -0.834 . . . . 1.0 108.747 174.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.579 HG22 ' O ' ' B' ' 68' ' ' LEU . 15.3 m 55.89 140.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 O-C-N 123.82 0.7 . . . . 1.0 111.802 -175.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -156.83 139.47 15.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.549 -0.75 . . . . 1.0 109.481 -178.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.91 158.37 16.33 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.152 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -136.79 155.61 49.59 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.445 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -91.3 117.47 29.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.492 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -140.18 100.55 3.93 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.221 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 54.48 58.55 12.69 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.149 -0.781 . . . . 1.0 111.149 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 52.79 9.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.689 0.281 . . . . 1.0 110.941 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' SER . . . . . 0.462 ' H ' ' C ' ' B' ' 75' ' ' GLY . 4.9 m -118.47 120.0 36.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.275 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.577 ' N ' ' SD ' ' B' ' 78' ' ' MET . 2.0 mpt? -83.4 120.01 25.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.024 -179.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 21.5 mm -103.99 127.86 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.111 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' B' ' 81' ' ' SER . 2.5 t80 -105.64 141.1 37.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.999 0.428 . . . . 1.0 110.031 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.544 ' N ' ' CD1' ' B' ' 80' ' ' TYR . 16.3 p -159.8 -172.06 3.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.216 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 16.0 mt -57.71 -161.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.579 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -122.98 -31.38 3.64 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.249 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.418 ' CG ' ' H ' ' B' ' 85' ' ' ILE . 33.2 t0 -172.81 178.79 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.407 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.418 ' H ' ' CG ' ' B' ' 84' ' ' ASP . 15.5 tt -67.99 -16.07 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.677 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -67.93 -30.29 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.844 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 63.3 t -80.79 -37.75 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.036 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.07 94.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.97 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.419 ' O ' ' N ' ' B' ' 93' ' ' GLN . 72.5 p -73.62 -46.84 44.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.941 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 23.6 ttt -45.15 -43.15 9.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.963 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 28.4 tp -67.21 -41.62 85.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.998 0.428 . . . . 1.0 110.371 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -79.26 -15.39 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.061 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 89' ' ' THR . 7.6 tt0 -84.25 -31.59 24.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.802 0.334 . . . . 1.0 110.382 179.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.75 -49.78 49.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.452 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 6.9 mm -61.9 -19.33 21.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.078 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -68.97 -51.89 34.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.264 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -72.2 -13.88 61.65 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.824 -0.35 . . . . 1.0 110.908 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.36 -40.81 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.263 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.9 t30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.766 -179.899 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.8 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.766 0.317 . . . . 1.0 110.559 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.67 -46.22 59.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.736 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -62.81 -60.76 3.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.475 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.8 tp -47.36 -23.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.48 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -84.01 -50.97 7.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.619 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -49.79 -55.93 12.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.924 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 17' ' ' THR . 31.1 m -44.0 -40.53 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.194 -178.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.422 ' N ' HG23 ' A' ' 16' ' ' VAL . 28.5 m -55.95 -42.54 76.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.322 . . . . 1.0 110.746 -179.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.21 -18.9 65.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.878 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.4 mt -85.14 -32.18 7.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.987 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -79.05 -13.05 60.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.125 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -92.62 -30.52 15.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.718 0.294 . . . . 1.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.11 -8.98 13.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.909 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 24' ' ' GLY . 15.7 mt -80.42 -11.92 59.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.838 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -55.72 -162.78 0.02 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 57.68 92.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.907 0.384 . . . . 1.0 110.922 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.431 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 45.3 p90 -52.68 -39.71 62.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' N ' ' CD2' ' A' ' 26' ' ' TYR . 8.4 p30 -58.86 -36.7 75.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.018 -178.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -65.66 -30.92 71.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.6 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.19 -31.78 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.789 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.409 ' NH2' ' CD2' ' A' ' 49' ' ' LEU . 56.1 mtm180 -64.53 -33.21 75.38 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.883 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 31' ' ' ILE . 1.6 mp -79.53 -20.7 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.825 -0.435 . . . . 1.0 109.825 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.3 ttt -71.08 -39.9 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.641 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.99 -24.93 58.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.45 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.2 tp -71.96 -60.22 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.438 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -54.46 -19.77 6.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.754 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -68.15 -50.48 54.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.943 0.401 . . . . 1.0 110.55 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.35 -40.62 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.748 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.5 m -172.79 148.95 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.793 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -56.48 165.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.174 178.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.41 150.4 23.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 1.0 110.962 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 m -93.07 156.78 16.66 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.868 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -45.92 -50.38 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.864 0.364 . . . . 1.0 111.199 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.95 -27.01 59.04 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 116.183 -0.462 . . . . 1.0 112.059 -176.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.407 ' N ' ' CD2' ' A' ' 44' ' ' HIS . 60.5 m170 -70.28 -29.0 65.66 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.787 -0.365 . . . . 1.0 111.309 -177.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.676 ' N ' HD12 ' A' ' 45' ' ' ILE . 1.9 mp -66.06 -31.53 54.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.319 -178.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 50' ' ' ASN . 91.1 p -47.46 -38.0 12.82 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.863 -0.335 . . . . 1.0 111.073 -178.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -60.06 -21.26 61.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.834 0.349 . . . . 1.0 110.851 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.463 ' N ' ' CD ' ' A' ' 48' ' ' GLN . 2.8 mp0 -95.74 -57.13 2.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.359 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.409 ' CD2' ' NH2' ' A' ' 30' ' ' ARG . 13.9 mt -88.5 -46.69 8.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.587 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 46' ' ' SER . 17.3 t30 63.86 23.56 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.682 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.2 mt -99.4 -153.74 0.45 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.269 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.0 m -73.89 132.92 42.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -65.38 -35.98 82.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.627 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -57.81 -22.36 47.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.595 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -68.06 -41.55 81.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.498 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.57 -40.43 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.615 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 m -60.63 -57.78 11.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.427 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -54.13 -41.4 68.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.536 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.87 -54.58 17.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.7 tp -57.27 -30.4 64.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.335 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -59.87 -34.77 73.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.255 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.9 tt -64.88 -57.37 9.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.072 179.223 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.0 mt -53.61 -40.22 65.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.523 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -53.19 -31.99 45.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.46 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.435 ' C ' ' H ' ' A' ' 67' ' ' HIS . 15.9 t -74.57 -37.06 63.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.427 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.531 ' O ' ' CG ' ' A' ' 67' ' ' HIS . 2.5 t -77.03 15.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.48 . . . . 1.0 110.128 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 66' ' ' VAL . 31.7 p80 42.84 15.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.68 -0.691 . . . . 1.0 111.65 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -71.08 -12.71 61.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.087 0.47 . . . . 1.0 109.832 -179.62 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.8 m -140.41 161.52 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.715 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -144.97 156.27 43.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.02 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -147.39 175.36 10.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.832 0.349 . . . . 1.0 110.345 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -142.01 155.36 45.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.319 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -87.79 129.93 35.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.62 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 77' ' ' SER . 63.0 mt-30 -147.09 137.81 23.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.154 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 76' ' ' GLN . . . -48.54 141.2 9.69 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.61 -0.996 . . . . 1.0 110.61 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 8.6 tt0 95.71 -54.83 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.5 0.72 . . . . 1.0 110.713 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 74' ' ' GLN . 53.3 m -162.4 -179.07 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.173 0.511 . . . . 1.0 111.476 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.502 ' O ' ' CE1' ' A' ' 80' ' ' TYR . 8.8 ttt -108.54 111.41 23.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.159 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.4 mm -81.47 133.7 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.084 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.502 ' CE1' ' O ' ' A' ' 78' ' ' MET . 48.6 m-85 -110.88 143.19 41.88 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.002 -0.545 . . . . 1.0 109.901 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.516 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 26.5 t -157.33 -173.83 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.869 0.366 . . . . 1.0 110.81 -179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.516 ' N ' ' OG ' ' A' ' 81' ' ' SER . 34.0 mt -75.18 170.42 16.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.63 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -78.76 -55.36 5.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.347 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.527 ' OD2' ' ND1' ' A' ' 86' ' ' HIS . 6.3 p-10 -158.25 -71.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.544 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.475 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 19.4 tt -167.81 -27.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.966 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.527 ' ND1' ' OD2' ' A' ' 84' ' ' ASP . 35.4 m170 -49.84 -28.37 6.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.85 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 88' ' ' ALA . 33.0 m -75.17 -39.55 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.74 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -68.86 -14.93 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.772 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 m -77.5 -63.3 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.852 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.6 tpp -51.71 -33.46 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.941 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.8 tp -59.49 -59.18 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.499 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 94' ' ' ALA . 66.5 mttm -61.75 -61.28 2.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.139 -178.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -40.41 -24.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.647 -177.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -75.37 -64.55 1.04 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.883 0.373 . . . . 1.0 110.912 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.5 mm -55.77 -26.88 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.947 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -79.39 -35.92 40.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.118 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -52.81 -62.1 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.618 -0.433 . . . . 1.0 110.568 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.88 -37.82 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.158 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.618 179.718 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.851 0.358 . . . . 1.0 111.024 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -78.65 -63.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.465 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 71.5 p -57.15 -18.03 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.606 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 16.6 tp -68.83 -58.34 4.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.289 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -52.96 -20.43 3.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.838 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -74.23 -35.81 63.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.991 0.424 . . . . 1.0 109.962 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.437 ' O ' HG22 ' B' ' 19' ' ' ILE . 91.9 t -65.34 -18.94 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.731 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.9 m -91.24 -29.78 17.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.691 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -77.74 -13.35 59.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.17 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.437 HG22 ' O ' ' B' ' 16' ' ' VAL . 10.5 tt -70.67 -39.74 76.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.684 -0.407 . . . . 1.0 110.347 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -75.59 -60.75 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.664 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -47.52 -37.63 12.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.974 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -22.29 62.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.754 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' B' ' 25' ' ' ASP . 6.6 tp -84.9 -6.97 59.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.261 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.93 82.31 0.01 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' B' ' 23' ' ' LEU . 26.7 t0 -171.87 101.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.734 0.302 . . . . 1.0 110.312 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -46.44 -67.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.196 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -41.36 -32.36 0.3 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.676 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -72.58 -31.3 65.12 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.893 -0.323 . . . . 1.0 111.255 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 46.4 mt -66.33 -32.24 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.878 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -73.1 -31.59 64.42 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.837 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 72.8 mt -76.33 -40.59 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.735 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 70.6 mmm -67.22 -18.09 65.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.642 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -76.07 -70.26 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.995 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 pp -52.31 -25.7 10.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.089 -178.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.502 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -74.98 -43.76 52.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.723 -0.473 . . . . 1.0 109.723 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 46.2 p -48.32 -43.07 32.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.337 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 25.3 t -54.0 -64.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.325 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 23.5 p -148.73 173.4 13.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.534 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -76.12 168.04 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.375 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.13 154.75 29.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.47 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 28.0 t -89.15 161.88 16.24 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.094 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.518 ' O ' HG22 ' B' ' 45' ' ' ILE . 77.4 t -57.63 -57.32 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.87 -0.332 . . . . 1.0 110.393 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.41 -23.64 60.51 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 120.877 -0.677 . . . . 1.0 111.784 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -75.83 -30.99 59.18 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.879 0.326 . . . . 1.0 111.879 -176.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.518 HG22 ' O ' ' B' ' 42' ' ' VAL . 7.9 tt -58.7 -18.65 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.541 -0.464 . . . . 1.0 110.067 -178.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.527 ' O ' ' N ' ' B' ' 50' ' ' ASN . 79.2 p -58.8 -41.55 87.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.537 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -51.71 -27.14 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.187 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -87.32 -51.95 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.524 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' B' ' 51' ' ' LEU . 28.0 mt -133.47 62.69 1.65 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.189 -0.46 . . . . 1.0 109.933 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 46' ' ' SER . 46.0 t30 -50.38 84.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.311 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' B' ' 49' ' ' LEU . 32.2 mt -135.86 -155.17 0.61 Allowed 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.183 -0.673 . . . . 1.0 109.183 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.8 p -63.79 127.77 32.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.787 0.327 . . . . 1.0 110.291 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.536 ' H ' ' CD ' ' B' ' 53' ' ' GLN . 22.6 mp0 -69.51 -55.71 9.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.895 -178.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.0 p -43.49 -24.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.006 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.11 -42.69 98.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.616 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 15.3 t -75.33 -34.74 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.692 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 27.7 t -56.49 -37.97 71.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.878 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -79.61 -63.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.552 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -46.77 -39.69 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.874 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.04 -34.9 79.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.451 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -61.74 -28.85 69.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.885 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 24.2 tp -64.78 -47.41 78.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.302 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.58 ' N ' HD12 ' B' ' 63' ' ' LEU . 9.1 mp -60.28 -35.33 75.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.205 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -77.89 -10.23 59.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.537 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.4 t -66.47 -60.94 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 1.0 111.595 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 57.4 t -66.45 -72.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.679 -0.409 . . . . 1.0 111.398 -175.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' B' ' 67' ' ' HIS . 5.5 t60 -176.6 8.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.863 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.57 ' N ' HD12 ' B' ' 68' ' ' LEU . 9.5 mp -97.96 141.84 30.43 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.85 -0.426 . . . . 1.0 109.85 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.427 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 7.5 t 65.7 151.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 1.0 110.609 -177.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -149.73 175.33 11.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.767 -0.651 . . . . 1.0 109.941 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -152.07 116.82 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.023 0.44 . . . . 1.0 110.704 -179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -112.51 123.8 51.09 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.943 -0.571 . . . . 1.0 109.821 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -59.6 133.47 56.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.448 0.642 . . . . 1.0 111.416 -173.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -153.81 138.73 17.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.987 -1.006 . . . . 1.0 110.148 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.27 -141.25 41.3 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -100.6 23.23 10.66 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.584 0.23 . . . . 1.0 110.925 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 50.2 p -152.08 169.68 21.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.914 0.388 . . . . 1.0 110.957 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 60.5 mtp -103.64 103.43 13.36 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.34 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.648 ' N ' HD12 ' B' ' 79' ' ' ILE . 1.5 mp -78.4 131.28 34.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 1.0 109.862 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -106.81 140.57 39.43 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.31 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -148.8 174.47 12.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.582 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.87 179.79 2.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.94 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' B' ' 67' ' ' HIS . 1.2 m-20 -81.48 -50.32 9.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.547 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.444 ' O ' HG23 ' B' ' 85' ' ' ILE . 56.9 m-20 -158.08 -76.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.701 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.444 HG23 ' O ' ' B' ' 84' ' ' ASP . 21.2 pt -157.26 -15.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.935 -178.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -57.68 -77.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.429 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.5 m -44.83 -27.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.611 -174.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.93 -50.79 63.14 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.753 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 77.6 m -65.54 -45.04 84.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.994 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 58.4 mtt -41.35 -55.88 2.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.377 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 34.2 mt -53.2 -57.47 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.726 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.404 ' CB ' ' NZ ' ' B' ' 92' ' ' LYS . 7.3 mtmp? -67.91 -14.06 62.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.194 -178.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -83.83 -25.56 30.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.546 -0.297 . . . . 1.0 110.84 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.49 -66.28 0.68 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.12 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 12.9 pt -58.58 -19.41 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.795 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -69.93 -41.28 74.81 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.336 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -50.84 -49.7 58.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.44 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.72 -63.02 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.53 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 62.3 t30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.569 179.597 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.875 0.369 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.6 p30 -67.59 -23.22 65.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.68 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.7 p -58.62 -40.86 84.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.789 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -72.59 -49.54 31.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 1.0 109.978 -179.757 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -64.75 -16.67 63.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.561 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -81.71 -70.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.643 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.514 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 27.5 m -40.47 -30.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.447 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -65.63 -50.89 63.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.983 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -59.62 -25.52 64.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.147 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.3 mm -67.94 -63.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.982 -0.287 . . . . 1.0 110.971 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CE2' ' O ' ' A' ' 16' ' ' VAL . 9.1 m-85 -49.74 -58.27 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.672 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -43.13 -41.43 3.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.205 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.42 -25.54 65.97 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.623 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 20' ' ' PHE . 6.0 tp -78.9 -4.44 49.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.448 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.65 85.1 0.2 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.339 -0.704 . . . . 1.0 111.339 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 10.5 t70 -173.59 150.78 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.712 0.291 . . . . 1.0 110.315 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -88.8 -71.47 0.59 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.064 0.459 . . . . 1.0 111.208 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -48.66 -18.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.646 -0.707 . . . . 1.0 111.44 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.454 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 11.7 tpp85 -71.77 -34.07 69.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.862 0.363 . . . . 1.0 110.088 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.7 mm -67.72 -34.64 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.742 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 tpp85 -74.01 -34.52 64.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.508 -0.315 . . . . 1.0 110.82 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.6 mt -74.06 -24.53 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.517 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 tpt -81.15 -35.75 31.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.521 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -64.33 -32.42 74.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.598 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.3 tp -71.79 -63.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.543 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.1 mt -45.84 -25.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.795 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 t -65.75 -52.05 54.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.824 0.345 . . . . 1.0 110.379 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.58 -59.68 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.528 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.8 m -151.47 136.83 17.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.889 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.609 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 10.7 pm0 -75.18 156.52 35.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.859 -0.609 . . . . 1.0 109.997 178.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.31 -177.58 6.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.913 0.387 . . . . 1.0 110.783 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.2 p -87.15 150.99 23.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.389 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.538 HG13 ' N ' ' A' ' 43' ' ' GLY . 12.9 p -49.56 -44.65 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.007 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.538 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -60.44 -18.97 52.44 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.289 -0.724 . . . . 1.0 111.289 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -77.0 -20.3 56.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.785 0.326 . . . . 1.0 110.755 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 45' ' ' ILE . 1.5 mp -75.23 -29.5 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 1.0 109.938 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 50' ' ' ASN . 55.1 p -44.32 -47.92 9.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 1.0 111.207 -178.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.409 ' ND1' ' N ' ' A' ' 47' ' ' HIS . 2.5 m80 -51.01 -14.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.13 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -92.89 -57.27 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.565 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.38 -46.51 7.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.741 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 46' ' ' SER . 56.8 t-20 56.88 82.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.203 -178.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.47 ' C ' HD23 ' A' ' 51' ' ' LEU . 2.0 tt -151.21 -69.65 0.17 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.399 -178.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 m -157.78 127.59 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.055 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -67.35 -26.53 66.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.521 -0.308 . . . . 1.0 111.035 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -81.59 -30.41 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.89 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.35 -44.68 67.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.968 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 m -71.88 -33.39 47.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.528 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.9 m -62.99 -54.19 42.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.179 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -43.83 -39.09 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.824 -0.625 . . . . 1.0 111.014 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -59.18 -55.83 29.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.495 -0.32 . . . . 1.0 111.441 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 60' ' ' LEU . 10.1 mp -52.23 -20.06 2.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.89 -177.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -72.46 -39.96 67.37 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.524 -0.47 . . . . 1.0 110.316 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.496 ' N ' HD22 ' A' ' 62' ' ' LEU . 3.2 mm? -67.11 -37.66 84.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.057 -0.349 . . . . 1.0 110.057 178.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.436 HD11 ' NH1' ' A' ' 28' ' ' ARG . 13.9 mt -73.7 -30.86 63.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.668 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -75.29 -12.39 60.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.281 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.7 m -85.26 -34.74 21.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.079 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.7 t -72.32 -72.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.86 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.413 ' H ' ' H ' ' A' ' 68' ' ' LEU . 6.6 t60 -176.5 -4.93 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.242 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 63' ' ' LEU . 21.3 mt -110.11 159.12 17.61 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.74 0.305 . . . . 1.0 110.537 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 t 67.49 128.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.679 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -149.36 161.78 41.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.684 -0.689 . . . . 1.0 109.854 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -155.96 160.41 40.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.924 0.392 . . . . 1.0 110.876 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -141.56 127.89 19.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.841 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -60.66 152.04 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.268 0.556 . . . . 1.0 111.29 -175.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -152.9 108.75 3.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.397 -0.82 . . . . 1.0 110.548 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.42 -105.29 1.62 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.084 -0.806 . . . . 1.0 111.084 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.466 ' CD ' ' N ' ' A' ' 76' ' ' GLN . 2.1 mp0 -126.41 18.23 7.57 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.822 0.344 . . . . 1.0 110.408 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.2 m -147.27 162.86 38.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.263 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -114.55 138.01 51.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.468 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 79' ' ' ILE . 19.6 mt -110.52 138.18 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.554 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -109.33 140.94 42.37 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.29 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 82' ' ' LEU . 87.1 p -158.25 -172.63 3.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.81 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 81' ' ' SER . 24.7 mt -59.01 -150.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.753 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -155.17 -26.46 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.837 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 9.2 t70 -164.53 158.12 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.482 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.483 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 29.6 pt -79.02 12.05 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.783 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.476 ' C ' ' H ' ' A' ' 88' ' ' ALA . 30.9 m80 -77.3 -75.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.988 0.423 . . . . 1.0 110.647 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.3 m -48.22 -10.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.539 . . . . 1.0 111.371 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' A' ' 86' ' ' HIS . . . -61.56 -62.06 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 1.0 110.737 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.0 t -66.83 -29.21 69.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.587 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.2 ttt -57.27 -40.79 78.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.461 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -61.16 -47.86 84.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.186 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -62.83 -57.35 11.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.535 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -40.67 -34.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.586 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.47 -46.79 75.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.869 0.366 . . . . 1.0 110.445 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.8 mm -70.72 -14.65 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.288 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.87 -58.96 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.758 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -62.29 -21.89 65.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 1.0 110.262 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.56 94.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.41 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.2 m120 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.199 179.31 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.863 0.363 . . . . 1.0 110.525 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -64.72 -35.79 82.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.495 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.7 m -71.79 -32.44 67.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.438 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.48 -20.66 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.103 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -83.25 -49.45 9.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.506 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' B' ' 18' ' ' GLU . 45.8 ttt85 -54.17 -55.4 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.259 -178.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.5 m -41.37 -28.55 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.365 -178.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.5 p -76.58 -41.14 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.663 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' B' ' 15' ' ' ARG . 29.8 mt-10 -62.18 -22.08 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.987 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 16.1 mt -67.72 -69.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.677 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -43.73 -60.54 1.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.269 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -43.54 -36.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.404 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.93 -25.18 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.506 -0.315 . . . . 1.0 111.428 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.584 ' N ' HD12 ' B' ' 23' ' ' LEU . 9.4 mp -78.47 0.75 24.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.086 -0.246 . . . . 1.0 110.668 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' B' ' 25' ' ' ASP . . . -64.71 -162.27 0.64 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' B' ' 24' ' ' GLY . 1.6 m-20 54.23 107.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 1.0 110.669 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -57.39 -18.73 19.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.868 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -82.13 -42.37 19.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.281 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -72.59 -34.21 67.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.294 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 tt -73.01 -32.36 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.287 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -67.6 -30.23 69.77 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.647 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -70.33 -51.23 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.433 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 31.5 ttm -46.54 -36.56 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.661 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -73.15 -30.53 63.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.997 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 25.4 tp -73.09 -44.95 59.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.528 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.556 ' N ' HD12 ' B' ' 35' ' ' LEU . 9.9 mp -74.17 -18.53 60.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.128 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -63.81 -54.96 26.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.638 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.98 -37.3 79.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.736 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 55.5 m -165.53 130.62 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.8 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.619 ' H ' ' CD ' ' B' ' 39' ' ' GLU . 1.4 pm0 -66.97 155.0 39.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.705 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.5 168.47 27.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.706 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 28.3 p -85.35 156.51 20.86 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.697 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.483 HG23 ' N ' ' B' ' 43' ' ' GLY . 35.3 m -48.17 -43.12 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.348 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.483 ' N ' HG23 ' B' ' 42' ' ' VAL . . . -67.44 -38.37 90.91 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 121.132 -0.556 . . . . 1.0 112.019 -176.449 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -67.84 -33.85 75.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 1.0 111.405 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 32.1 pt -80.79 -13.65 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.695 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.462 ' C ' ' N ' ' B' ' 48' ' ' GLN . 16.2 m -50.23 -28.98 8.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.591 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.22 -11.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.25 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.462 ' N ' ' C ' ' B' ' 46' ' ' SER . 14.4 mm100 -94.12 -52.45 4.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.027 177.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.569 HD12 ' N ' ' B' ' 49' ' ' LEU . 9.8 mp -86.87 -64.89 1.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.236 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 66.38 25.83 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.991 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -91.31 -70.44 0.68 Allowed 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.6 m -158.87 132.0 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 1.0 109.937 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -54.11 -21.71 9.26 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.679 -0.408 . . . . 1.0 110.646 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 85.9 p -81.43 -24.83 36.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.481 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -77.5 -44.37 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.806 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.443 HG13 ' N ' ' B' ' 57' ' ' SER . 11.7 p -67.16 -38.51 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.647 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.443 ' N ' HG13 ' B' ' 56' ' ' VAL . 66.6 m -58.62 -66.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.389 . . . . 1.0 110.495 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -40.59 -30.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 1.0 111.244 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -70.97 -55.39 8.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.744 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 28.3 mt -54.49 -29.55 50.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.478 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -67.41 -35.13 78.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.795 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.524 HD23 ' O ' ' B' ' 62' ' ' LEU . 1.0 OUTLIER -67.04 -32.96 74.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.1 0.476 . . . . 1.0 110.039 -179.359 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.96 -26.04 63.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.1 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -69.89 -27.89 65.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.493 -0.321 . . . . 1.0 110.964 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.6 m -66.89 -41.18 87.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.179 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.468 ' C ' ' ND1' ' B' ' 67' ' ' HIS . 14.5 m -75.98 15.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.331 -177.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.468 ' ND1' ' C ' ' B' ' 66' ' ' VAL . 8.2 m80 71.09 10.39 6.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.504 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 36.1 mt -109.4 153.71 23.6 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 110.035 -0.358 . . . . 1.0 110.035 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.8 t 62.78 141.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.761 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -164.08 135.05 4.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.559 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.94 171.74 7.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.372 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -148.29 162.71 38.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.479 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -89.7 145.17 25.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.681 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -148.43 106.19 3.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.382 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.23 -95.91 0.04 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.472 ' N ' ' CD ' ' B' ' 76' ' ' GLN . 0.5 OUTLIER -133.88 12.69 4.0 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.794 0.331 . . . . 1.0 110.246 -179.469 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -130.02 135.76 48.64 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.458 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' B' ' 78' ' ' MET . 4.4 mpp? -103.89 145.68 29.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.881 -0.599 . . . . 1.0 110.19 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 pt -138.53 158.24 30.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -110.89 142.95 42.27 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.466 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' B' ' 82' ' ' LEU . 8.7 t -147.95 175.44 10.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.01 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.436 ' N ' ' OG ' ' B' ' 81' ' ' SER . 3.4 pp -162.75 -22.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.916 -178.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 20.2 p-10 -58.78 99.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.177 -177.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -110.05 17.65 20.83 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.529 ' O ' ' CG ' ' B' ' 86' ' ' HIS . 10.0 mt 63.88 54.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.134 -177.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' B' ' 85' ' ' ILE . 40.6 m-70 -164.95 -27.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 92.9 t -86.0 -37.14 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.827 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.68 -42.05 87.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.857 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.452 ' O ' ' N ' ' B' ' 93' ' ' GLN . 42.2 p -69.0 -47.81 64.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.758 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 4.3 tpt -45.04 -51.94 9.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.873 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 tp -68.03 -42.29 80.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.62 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -72.66 -14.22 61.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.957 -178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' B' ' 89' ' ' THR . 59.8 tp60 -81.5 -29.8 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 1.0 110.491 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.36 -44.65 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.452 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.5 -21.4 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.394 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -46.0 63.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.756 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -78.63 -15.27 58.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.753 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.6 -52.06 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.747 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.936 -179.08 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.2 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.771 0.32 . . . . 1.0 110.76 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -80.81 -20.12 43.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 1.0 110.529 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 14' ' ' GLU . 53.1 p -74.55 -70.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.651 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.567 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.0 mp -47.2 -20.59 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.381 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 12' ' ' THR . 41.8 mm-40 -79.28 -45.65 19.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.732 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -83.38 -26.99 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.214 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.9 t -76.14 -40.5 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.624 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.6 m -68.06 -19.32 64.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.977 0.418 . . . . 1.0 110.427 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' A' ' 20' ' ' PHE . 30.6 tt0 -74.49 -69.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.339 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.4 pt -35.81 -25.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.987 -0.551 . . . . 1.0 112.248 -174.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' GLU . 51.9 m-85 -76.11 -70.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.515 -0.474 . . . . 1.0 109.885 177.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -51.35 -23.58 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.833 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.58 -19.03 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.026 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.567 ' N ' HD22 ' A' ' 23' ' ' LEU . 3.1 mm? -89.43 12.17 17.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.347 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.81 -79.76 0.07 OUTLIER Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.03 135.42 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 1.0 110.807 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -72.94 -30.35 63.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.764 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.427 ' ND2' HD21 ' A' ' 49' ' ' LEU . 15.0 t-20 -49.62 -44.83 47.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.693 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -66.09 -38.54 88.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 1.0 111.142 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mt -59.51 -28.81 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.951 -178.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -69.17 -35.11 75.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.743 -0.208 . . . . 1.0 111.274 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.592 ' N ' HD12 ' A' ' 31' ' ' ILE . 1.4 mp -81.15 -16.35 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.0 tpt -81.82 -39.86 23.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 1.0 110.62 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' OG ' ' A' ' 36' ' ' SER . 14.3 pt-20 -80.68 -41.88 22.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.014 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.465 ' C ' HD13 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -67.86 -67.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.447 -178.596 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 38' ' ' SER . 8.2 tp -46.84 -48.9 20.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.861 -177.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 33' ' ' GLU . 30.3 p -43.06 -40.18 3.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.032 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.19 -34.87 73.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.564 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 35' ' ' LEU . 40.0 m -167.23 137.58 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.533 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.93 158.42 19.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.143 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.33 164.92 37.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.985 0.421 . . . . 1.0 111.412 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.8 p -108.52 163.52 13.16 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.768 -0.651 . . . . 1.0 109.814 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.4 t -46.53 -46.3 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.69 0.281 . . . . 1.0 111.226 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.02 -53.46 40.04 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 121.385 -0.436 . . . . 1.0 112.042 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -60.8 -31.59 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.978 0.362 . . . . 1.0 111.978 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 48' ' ' GLN . 54.6 mt -71.93 -31.09 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.319 -0.552 . . . . 1.0 110.481 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -43.8 -19.58 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.84 0.353 . . . . 1.0 110.856 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' ILE . 11.9 m-70 -91.21 -30.2 16.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.734 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 45' ' ' ILE . 81.3 mt-30 -92.33 -58.36 2.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.022 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.427 HD21 ' ND2' ' A' ' 27' ' ' ASN . 16.1 tp -173.83 75.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.546 -0.297 . . . . 1.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 52' ' ' SER . 7.8 t30 -151.77 -15.9 0.19 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.792 -0.447 . . . . 1.0 109.792 177.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.499 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 3.1 pp -32.04 -28.62 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.822 -0.626 . . . . 1.0 111.924 -177.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 50' ' ' ASN . 31.1 t -95.44 72.38 3.21 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.991 -0.744 . . . . 1.0 108.991 173.189 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.602 ' CD ' ' H ' ' A' ' 53' ' ' GLN . 18.3 mp0 -36.81 -63.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.869 -0.605 . . . . 1.0 112.01 -175.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.3 t -42.18 -18.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.423 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 53' ' ' GLN . 8.8 t-20 -76.54 -43.51 38.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.097 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG21 ' OD1' ' A' ' 50' ' ' ASN . 83.9 t -82.05 -41.81 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.783 0.325 . . . . 1.0 110.952 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.8 t -48.89 -48.53 42.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.013 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -74.48 -25.93 59.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.619 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -68.93 -60.94 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 1.0 111.191 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.57 -23.49 40.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.475 -0.33 . . . . 1.0 111.503 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -66.11 -42.38 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.169 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.37 -58.3 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.553 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.9 mt -45.69 -39.4 7.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.747 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -57.33 -42.23 81.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.826 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.485 ' C ' ' H ' ' A' ' 67' ' ' HIS . 41.0 t -64.91 -39.07 92.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.786 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -72.59 12.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.294 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.485 ' H ' ' C ' ' A' ' 65' ' ' SER . 2.2 t60 65.52 15.19 9.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.965 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' A' ' 69' ' ' VAL . 43.1 mt -96.64 139.54 32.57 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.687 -0.486 . . . . 1.0 109.687 176.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' A' ' 68' ' ' LEU . 20.7 m 46.49 177.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.392 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -165.25 154.93 12.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.687 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.4 153.17 20.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.079 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -140.26 153.83 46.64 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.881 0.372 . . . . 1.0 110.595 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -85.27 119.87 26.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.172 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -152.8 115.85 4.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.92 0.39 . . . . 1.0 110.76 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 49.63 56.97 10.11 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.169 -0.772 . . . . 1.0 111.169 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 50.6 8.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.598 0.237 . . . . 1.0 111.23 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.49 ' H ' ' C ' ' A' ' 75' ' ' GLY . 14.3 m -123.47 144.17 49.69 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.983 -0.377 . . . . 1.0 109.983 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.4 ptt? -109.57 128.35 55.14 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.953 0.406 . . . . 1.0 110.739 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 79' ' ' ILE . 14.6 pt -133.31 161.88 40.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.446 -0.575 . . . . 1.0 109.446 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -136.28 172.75 12.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.418 0.627 . . . . 1.0 111.168 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 44.7 t -170.01 -154.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.065 -0.971 . . . . 1.0 109.378 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.468 ' N ' ' OG ' ' A' ' 81' ' ' SER . 12.0 mt -86.89 -179.05 6.45 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.086 -0.339 . . . . 1.0 110.086 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -170.21 -8.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.731 -0.388 . . . . 1.0 111.238 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -116.3 -20.01 9.94 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.822 0.344 . . . . 1.0 110.414 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.524 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 27.4 mt 47.27 73.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.755 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 29.0 m80 -161.05 -54.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.318 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.5 m -46.19 -12.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.31 -178.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . -62.85 -60.05 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.838 0.351 . . . . 1.0 110.657 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.7 p -62.32 -30.05 70.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.729 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 32.8 ttm -49.57 -47.36 49.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.676 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 26.4 mt -64.01 -41.68 97.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.717 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.79 -70.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 1.0 111.025 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -42.5 -26.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.315 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -63.03 -53.19 57.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 1.0 110.71 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.0 mm -68.8 -17.44 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.713 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.564 ' ND1' ' NE2' ' B' ' 86' ' ' HIS . 66.6 t-80 -63.47 -40.56 97.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.592 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -70.65 -63.15 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.309 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.3 -28.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.95 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.688 179.799 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.975 0.417 . . . . 1.0 110.534 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 34.1 p-10 -73.52 -14.68 61.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.351 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.6 p -76.14 -59.34 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.482 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.527 ' N ' HD12 ' B' ' 13' ' ' LEU . 9.3 mp -47.0 -32.9 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.096 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -64.39 -56.19 15.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -68.08 -40.97 82.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.801 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.6 t -58.8 -17.11 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.619 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 96.1 m -85.96 -31.97 21.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 1.0 110.147 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -70.9 -20.79 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.65 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.556 HD13 ' O ' ' B' ' 19' ' ' ILE . 0.2 OUTLIER -56.32 -45.29 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.433 ' N ' ' CG2' ' B' ' 19' ' ' ILE . 29.0 m-85 -67.94 -55.86 11.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.693 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -51.2 -21.78 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.531 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -58.27 -36.59 73.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.921 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.582 ' N ' HD12 ' B' ' 23' ' ' LEU . 9.0 mp -63.97 -7.92 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 1.0 110.129 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 38.46 -127.03 1.75 Allowed Glycine 0 CA--C 1.527 0.788 0 CA-C-N 115.86 -0.609 . . . . 1.0 111.864 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -75.82 173.97 10.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.852 0.358 . . . . 1.0 110.84 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' B' ' 29' ' ' ILE . 19.4 p90 -68.99 -45.9 69.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.083 -178.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.5 ' N ' ' CD2' ' B' ' 26' ' ' TYR . 24.1 m120 -45.27 -33.84 2.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.909 0.385 . . . . 1.0 110.522 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.58 HH12 ' NE2' ' B' ' 59' ' ' GLN . 15.5 tpp180 -64.34 -34.16 77.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.251 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' B' ' 26' ' ' TYR . 43.9 mt -70.24 -28.81 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.779 -0.646 . . . . 1.0 111.095 -177.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 tpt85 -66.2 -32.11 73.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.398 . . . . 1.0 110.119 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 37.2 mt -63.14 -42.38 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.176 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 42.3 mtt -64.65 -44.97 88.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.687 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -54.7 -30.69 56.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.395 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.405 ' C ' HD13 ' B' ' 34' ' ' LEU . 0.3 OUTLIER -76.18 -62.03 1.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.178 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 34.2 mt -60.75 -6.65 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.604 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 5.8 t -81.63 -43.49 18.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.392 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 88.1 t -69.13 -24.39 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.638 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t 174.89 133.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.712 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.589 ' H ' ' CD ' ' B' ' 39' ' ' GLU . 1.3 pm0 -51.79 164.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.746 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.425 ' CB ' HE22 ' B' ' 48' ' ' GLN . . . -157.61 154.92 29.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.619 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' B' ' 42' ' ' VAL . 33.4 t -85.35 -163.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.195 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.567 ' O ' HG22 ' B' ' 45' ' ' ILE . 70.7 t -79.62 -66.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.378 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.11 -32.67 63.26 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.541 -0.624 . . . . 1.0 111.541 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -58.47 -11.13 2.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.757 0.313 . . . . 1.0 110.712 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.567 HG22 ' O ' ' B' ' 42' ' ' VAL . 11.2 tt -78.05 -34.71 19.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.659 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.6 t -46.54 -32.71 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.71 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -84.56 -18.34 35.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.847 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.425 HE22 ' CB ' ' B' ' 40' ' ' ALA . 83.2 mt-30 -84.17 -57.42 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.1 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 21.8 mt -112.85 -27.89 7.95 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.93 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 t30 58.4 79.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 1.0 110.458 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 77.3 mt -140.54 -178.6 5.58 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.086 -0.507 . . . . 1.0 109.714 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 41.2 m -66.83 132.69 48.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.463 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -62.85 -40.18 96.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.075 -178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' B' ' 58' ' ' HIS . 36.8 m -52.29 -29.92 25.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.945 0.402 . . . . 1.0 110.408 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -73.56 -32.17 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.64 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.1 t -81.64 -49.4 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.282 -178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.7 p -57.89 -42.19 84.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 1.0 110.633 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' B' ' 54' ' ' SER . 2.1 m-70 -67.7 -42.47 81.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.104 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.58 ' NE2' HH12 ' B' ' 28' ' ' ARG . 38.7 mm-40 -64.63 -57.67 8.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 1.0 111.103 -178.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 38.4 mt -46.38 -24.52 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.76 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -72.93 -43.23 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 1.0 110.621 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 22.7 mt -59.5 -35.89 75.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.699 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.17 -23.84 62.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.77 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -65.3 -21.48 66.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.439 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.44 ' C ' ' H ' ' B' ' 67' ' ' HIS . 13.3 t -71.39 -59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.714 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.405 HG23 ' H ' ' B' ' 68' ' ' LEU . 5.5 m -64.62 1.12 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.599 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.44 ' H ' ' C ' ' B' ' 65' ' ' SER . 21.2 m80 58.65 14.18 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.083 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.469 HD13 ' O ' ' B' ' 68' ' ' LEU . 0.2 OUTLIER -74.76 -14.97 60.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.568 -0.531 . . . . 1.0 109.568 -179.568 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.497 HG12 ' N ' ' B' ' 70' ' ' LYS . 87.2 t -137.94 157.88 32.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.472 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.497 ' N ' HG12 ' B' ' 69' ' ' VAL . 83.7 tttt -163.98 128.83 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.298 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.59 174.56 5.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.982 0.42 . . . . 1.0 110.621 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -149.54 168.16 24.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.104 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -75.68 135.05 40.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -149.35 78.95 1.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.322 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 59.12 52.27 54.35 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.104 -0.798 . . . . 1.0 111.104 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 73.72 -28.67 0.19 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.555 0.217 . . . . 1.0 110.983 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' SER . . . . . 0.459 ' H ' ' C ' ' B' ' 75' ' ' GLY . 8.8 t -81.06 128.13 33.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 1.0 110.637 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 39.1 tpp -83.29 107.11 15.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.524 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.412 ' O ' HG23 ' B' ' 79' ' ' ILE . 20.8 tt -94.02 133.1 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.719 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -110.85 143.13 41.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.379 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 27.8 t -144.98 171.07 14.97 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.53 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.413 ' C ' ' H ' ' B' ' 84' ' ' ASP . 22.0 mt -68.6 -32.44 72.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.833 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 67.56 -3.89 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.815 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' B' ' 82' ' ' LEU . 8.4 m-20 -157.82 147.84 20.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.509 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 23.8 pt -97.76 -18.92 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.477 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.564 ' NE2' ' ND1' ' A' ' 96' ' ' HIS . 32.1 m80 -51.04 -16.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.8 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 35.8 m -90.81 -27.57 4.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.564 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.17 76.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.658 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 34.4 m -77.58 -41.4 38.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.726 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 25.7 ttt -60.61 -40.35 91.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.721 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -67.96 -38.4 82.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.328 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -78.08 -9.27 59.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.783 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -88.13 -26.32 22.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.59 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.47 -50.99 18.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.418 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.0 mm -58.95 -27.99 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.439 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -66.06 -57.4 7.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.679 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' B' ' 99' ' ' ASN . 13.6 t60 -54.0 -70.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.832 -178.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -36.15 -25.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.102 -0.499 . . . . 1.0 112.086 -177.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' B' ' 97' ' ' HIS . 5.2 p-10 . . . . . 0 C--N 1.33 -0.275 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.984 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.867 0.365 . . . . 1.0 110.641 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.3 -19.11 62.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.536 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 m -69.63 -70.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.74 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.559 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.0 mp -43.64 -42.42 5.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.526 -179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -52.01 -61.26 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.015 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' GLU . 52.2 mtp180 -55.31 -52.5 63.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.3 t -43.42 -23.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.008 -178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 15' ' ' ARG . 11.9 m -81.98 -40.75 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.498 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ARG . 33.9 tt0 -61.61 -19.45 62.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.831 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.9 mm -69.99 -36.21 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.78 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -71.45 -65.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.609 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -46.06 -23.28 0.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.59 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.58 -34.99 58.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.985 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.6 mt -76.08 3.51 10.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.825 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 25' ' ' ASP . . . -55.19 -172.86 0.09 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 24' ' ' GLY . 4.8 m-20 55.45 108.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.333 . . . . 1.0 110.754 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -59.4 -37.17 77.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.714 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -58.39 -33.87 70.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.731 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -67.89 -30.02 69.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.947 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.0 mt -74.83 -26.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.967 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -70.18 -30.86 68.1 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.506 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 mm -63.22 -57.9 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.376 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 48.4 mtm -47.22 -37.66 10.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.525 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -59.66 -32.39 70.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.34 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.472 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -75.85 -52.36 10.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 1.0 109.95 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' ' 35' ' ' LEU . 13.9 mt -59.2 -15.75 16.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.483 178.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.5 t -75.39 -58.2 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.61 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.3 m -58.45 -35.27 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.652 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t 178.91 146.84 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 1.0 110.814 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.602 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.6 pm0 -49.73 175.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.637 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.1 144.91 19.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.7 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.1 m -87.89 -167.93 2.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.742 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.7 t -81.56 -63.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.883 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.27 -28.21 73.54 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 120.772 -0.728 . . . . 1.0 111.684 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -74.7 -39.24 62.07 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.193 0.442 . . . . 1.0 112.193 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.8 tt -76.19 -13.81 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.649 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 50' ' ' ASN . 90.5 p -64.64 -63.97 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.37 . . . . 1.0 110.567 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -55.54 -22.94 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.482 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -67.5 -16.92 64.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.087 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.0 tp -168.04 49.45 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.395 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.473 ' CG ' ' H ' ' A' ' 51' ' ' LEU . 36.9 t-20 51.49 -139.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.747 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' H ' ' CG ' ' A' ' 50' ' ' ASN . 8.7 mp 52.27 179.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 76.7 p -151.36 175.71 11.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.811 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -41.22 -43.48 2.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.778 -0.646 . . . . 1.0 111.45 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.8 m -55.02 -52.29 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.083 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -78.99 -38.14 37.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.182 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.6 t -68.23 -43.91 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 1.0 110.846 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 56.5 m -59.46 -37.75 78.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.561 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' LYS . 31.4 t-80 -70.38 -69.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.225 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 60' ' ' LEU . 17.2 pt20 -44.05 -42.27 6.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.971 -178.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.404 ' N ' ' CG ' ' A' ' 59' ' ' GLN . 10.2 tp -53.7 -34.85 60.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 1.0 110.448 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' HIS . 50.7 tttp -60.64 -34.25 73.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.933 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.581 ' N ' HD22 ' A' ' 62' ' ' LEU . 3.3 mm? -69.06 -27.24 65.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.34 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.6 mt -79.69 -39.36 31.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.738 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.47 ' NZ ' ' H ' ' A' ' 71' ' ' ALA . 61.9 tttp -64.75 -20.01 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.609 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 83.0 p -74.12 -57.5 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.011 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.468 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 7.5 p -66.07 -5.35 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.65 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 65' ' ' SER . 4.8 m80 78.33 14.81 1.38 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.827 -0.624 . . . . 1.0 112.164 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.6 mt -80.06 -12.07 59.72 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.633 -0.506 . . . . 1.0 109.633 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 70' ' ' LYS . 93.1 t -139.85 159.51 26.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.876 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.516 ' N ' HG12 ' A' ' 69' ' ' VAL . 64.4 tttm -146.83 136.25 22.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.276 -179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.47 ' H ' ' NZ ' ' A' ' 64' ' ' LYS . . . -102.38 142.85 32.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.455 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -148.92 163.07 38.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.13 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -89.3 131.63 35.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.265 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -140.76 78.86 1.67 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.066 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.34 -99.96 2.21 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.766 -0.934 . . . . 1.0 110.766 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -133.17 13.39 4.24 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.741 0.305 . . . . 1.0 110.419 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.2 p -128.25 135.29 49.46 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.471 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 78' ' ' MET . 1.7 mpt? -85.91 87.66 7.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.436 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.1 mt -91.34 148.32 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.427 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -137.6 173.94 11.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.281 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.3 t -172.17 -156.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.568 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -68.8 -160.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.629 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -154.07 -7.64 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.54 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.493 ' OD2' ' ND1' ' A' ' 86' ' ' HIS . 44.1 t0 -167.96 160.27 12.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.428 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.458 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 21.4 pt -81.7 -4.58 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.73 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.493 ' ND1' ' OD2' ' A' ' 84' ' ' ASP . 32.6 m170 -78.42 -24.75 46.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.58 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.74 -46.09 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.732 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.34 -64.13 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.86 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.1 p -44.97 -48.47 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.938 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.0 ttt -42.13 -48.98 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.243 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.2 mt -65.76 -37.87 87.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.978 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.525 ' O ' ' ND1' ' A' ' 96' ' ' HIS . 90.9 mttt -78.66 -12.72 60.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.189 -177.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -85.22 -20.99 29.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 1.0 110.517 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.64 -59.39 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.542 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.53 -25.37 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.796 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 92' ' ' LYS . 0.3 OUTLIER -68.62 -47.98 65.24 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.861 -0.336 . . . . 1.0 110.537 179.224 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -63.88 -14.05 50.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.797 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.94 -67.04 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.905 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.9 m120 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.86 -178.913 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.776 0.322 . . . . 1.0 110.5 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -73.53 -53.51 10.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.747 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 51.1 p -60.67 -50.89 71.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.518 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 36.6 tp -50.41 -29.33 9.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.532 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -61.03 -59.26 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.629 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -58.03 -42.27 84.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.745 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 84.2 t -53.63 -32.87 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.76 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -74.7 -39.65 61.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.676 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.88 -16.3 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.731 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.451 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 98.4 mt -69.39 -70.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.674 -0.411 . . . . 1.0 110.507 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -40.38 -63.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.466 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -44.45 -33.49 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.145 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -66.74 -29.64 69.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.342 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.539 HD22 ' N ' ' B' ' 23' ' ' LEU . 3.1 mm? -89.46 12.19 17.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.579 0.228 . . . . 1.0 110.506 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.19 -163.65 11.92 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 60.74 115.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 1.0 110.644 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -51.08 -57.96 7.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.855 -0.611 . . . . 1.0 111.196 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -46.31 -38.36 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.638 -177.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.557 HH12 ' CG ' ' B' ' 59' ' ' GLN . 80.0 mtt-85 -69.2 -43.25 74.53 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.972 -0.291 . . . . 1.0 111.363 -177.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 97.0 mt -51.67 -29.89 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.695 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -73.1 -33.65 65.7 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.925 -0.31 . . . . 1.0 110.896 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 55.6 mt -60.29 -42.08 89.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.505 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 13.5 tpt -71.08 -40.42 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 1.0 110.706 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -53.9 -54.79 33.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.44 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.24 -28.71 67.47 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.818 -0.353 . . . . 1.0 111.313 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 38.3 mt -64.61 -40.42 95.45 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.769 -0.456 . . . . 1.0 109.769 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 62.0 p -55.94 -43.14 77.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.501 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.8 t -67.08 -48.78 78.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.454 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 13.9 t -161.17 147.98 14.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.644 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -64.21 176.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.572 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.32 135.44 11.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.523 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.6 m -69.97 -168.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.384 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.657 HG13 ' N ' ' B' ' 43' ' ' GLY . 14.6 p -72.57 -60.41 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.616 -0.434 . . . . 1.0 110.759 -178.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.657 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -75.14 -32.82 55.62 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.535 -0.626 . . . . 1.0 111.535 -178.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -49.35 -20.18 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 1.0 110.836 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.563 HG22 ' O ' ' B' ' 42' ' ' VAL . 11.2 tt -74.86 -25.74 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.796 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.511 ' O ' ' N ' ' B' ' 50' ' ' ASN . 73.7 m -49.66 -59.11 4.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.009 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -43.82 -18.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.305 -178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' B' ' 46' ' ' SER . 8.5 tp-100 -92.79 -57.63 2.6 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.764 0.316 . . . . 1.0 110.597 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 17.6 mt -100.18 -46.48 5.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.348 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' B' ' 46' ' ' SER . 20.0 t-20 57.4 87.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.743 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 57.4 mt -134.4 -85.72 0.41 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.335 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 10.2 t -157.93 127.29 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -47.24 -36.42 8.97 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.823 -0.351 . . . . 1.0 110.7 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.9 p -62.23 -27.02 68.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.761 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -73.88 -40.12 63.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.859 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.96 -45.99 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.635 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.8 t -54.25 -36.25 63.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.23 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -79.42 -67.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.642 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLN . . . . . 0.557 ' CG ' HH12 ' B' ' 28' ' ' ARG . 28.9 tt0 -49.41 -27.38 4.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.432 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 37.1 tp -75.14 -41.18 58.9 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.636 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -63.46 -22.04 66.66 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.477 -0.489 . . . . 1.0 110.575 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 23.4 mt -71.55 -43.55 66.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.357 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.2 -30.83 68.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.455 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -66.07 -37.5 85.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.568 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 9.0 m -53.47 -40.88 65.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.475 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.1 t -77.32 -11.69 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.086 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 67.74 16.97 9.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.919 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 38.6 tp -63.19 -14.2 46.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.043 0.449 . . . . 1.0 110.272 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.3 m -146.02 172.51 3.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.554 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -151.92 120.99 6.67 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.18 163.34 12.29 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.014 0.435 . . . . 1.0 110.939 -177.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -140.72 156.6 46.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.643 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' B' ' 73' ' ' ARG . 0.8 OUTLIER -82.64 116.75 22.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.269 179.638 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -149.68 115.48 5.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 1.0 109.989 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.9 -169.18 52.94 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.222 -1.151 . . . . 1.0 110.222 -177.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -81.31 33.56 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.808 0.337 . . . . 1.0 110.612 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 84.5 p -151.06 166.35 31.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.035 0.445 . . . . 1.0 110.692 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 49.7 mtt -109.84 92.06 3.9 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.354 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -78.41 147.6 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.487 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.5 ' O ' ' CD1' ' B' ' 80' ' ' TYR . 47.5 p90 -150.56 128.47 11.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.439 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 46.0 p -123.38 -144.93 0.34 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.829 0.347 . . . . 1.0 110.271 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mt -74.38 163.42 27.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.709 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -79.24 -67.93 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.809 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -159.11 -179.02 7.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.729 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 pt -74.05 62.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.69 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -150.05 -24.65 0.26 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.519 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.498 HG23 ' N ' ' B' ' 88' ' ' ALA . 34.3 m -76.33 -41.11 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.858 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.498 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -74.15 -22.84 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.951 -178.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 32.6 p -72.65 -40.82 66.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.878 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 20.8 ttt -79.83 -29.22 40.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.967 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.82 -53.51 39.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.81 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.445 ' CG ' ' N ' ' B' ' 93' ' ' GLN . 17.7 ptmt -62.8 -52.59 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.832 -178.039 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.445 ' N ' ' CG ' ' B' ' 92' ' ' LYS . 79.8 mt-30 -45.99 -27.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.671 0.272 . . . . 1.0 110.865 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.27 -41.86 47.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 1.0 110.343 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 84.4 mt -72.73 -26.16 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.429 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -72.69 -25.29 61.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.381 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' HIS . . . . . 0.41 ' C ' ' H ' ' B' ' 99' ' ' ASN . 62.9 t-80 -83.8 -20.36 33.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.417 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.57 5.45 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.65 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' B' ' 97' ' ' HIS . 57.1 t30 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.259 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 120.885 0.374 . . . . 1.0 110.54 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.477 ' CG ' ' H ' ' A' ' 12' ' ' THR . 8.2 p-10 -86.92 -64.34 1.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.569 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.477 ' H ' ' CG ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -52.46 -24.36 7.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.715 -179.522 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.426 ' O ' HG22 ' A' ' 16' ' ' VAL . 19.7 tp -72.96 -53.54 10.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.194 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -62.62 -12.02 20.58 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.913 -0.315 . . . . 1.0 110.705 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -72.39 -60.58 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.752 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 13' ' ' LEU . 6.4 m -50.27 -18.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.471 -179.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 m -77.7 -35.56 51.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.279 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -64.3 -20.1 65.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.618 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.448 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 60.4 mt -63.54 -70.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.634 -0.426 . . . . 1.0 110.176 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' LEU . 98.1 m-85 -40.55 -58.11 1.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.258 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -44.35 -32.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.001 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -70.67 -30.43 67.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.924 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.556 ' N ' HD22 ' A' ' 23' ' ' LEU . 3.1 mm? -81.22 -5.45 57.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.291 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 26' ' ' TYR . . . -55.12 -46.7 77.37 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.231 -0.748 . . . . 1.0 111.231 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 25.4 p-10 -46.45 90.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.999 0.428 . . . . 1.0 110.681 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 24' ' ' GLY . 36.5 t80 -46.62 -67.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.382 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -40.24 -32.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.754 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' ILE . 1.0 OUTLIER -69.49 -51.44 35.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.413 . . . . 1.0 110.424 -178.224 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 76.0 mt -42.65 -35.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.395 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -69.99 -33.3 71.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 1.0 110.752 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 28' ' ' ARG . 62.5 mt -71.0 -30.45 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.242 178.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 38.1 ttp -63.18 -31.93 73.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.265 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -67.26 -31.23 71.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.359 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.9 tp -70.8 -58.98 3.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.306 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.2 mt -52.53 -24.35 7.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.874 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.5 t -64.85 -54.06 36.92 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.839 -0.344 . . . . 1.0 110.455 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.1 t -57.68 -37.6 60.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.528 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 t -177.55 146.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.631 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -53.01 160.52 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.229 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.04 149.89 23.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.903 0.382 . . . . 1.0 110.761 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.3 t -87.25 162.44 17.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.451 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.2 t -49.04 -49.67 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.092 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.72 -46.03 92.71 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.237 -0.745 . . . . 1.0 111.237 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -52.0 -30.11 23.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.557 0.217 . . . . 1.0 111.026 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.5 mm -65.96 -27.94 42.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 50' ' ' ASN . 17.8 m -53.34 -62.71 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.867 -178.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -55.95 -18.32 8.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.447 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -72.14 -23.22 61.27 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.792 -0.363 . . . . 1.0 111.21 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 tp -163.18 22.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.938 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 46' ' ' SER . 5.9 m-80 43.09 91.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.971 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 tp -152.96 170.11 21.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.154 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.1 t -83.02 150.94 26.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.501 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -73.05 -51.66 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.607 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.5 m -45.99 -36.03 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.692 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -68.57 -44.47 74.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.733 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.86 -37.96 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.611 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.9 p -63.28 -44.92 93.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.346 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -60.43 -52.05 66.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.596 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -51.74 -59.91 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.62 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.8 mt -44.28 -25.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.103 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -70.67 -40.89 72.71 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.721 -0.392 . . . . 1.0 110.559 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.584 ' N ' HD12 ' A' ' 62' ' ' LEU . 9.4 mp -62.03 -30.59 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.118 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 63' ' ' LEU . 7.5 mp -78.98 -31.12 44.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.246 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -66.12 -21.64 66.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.374 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.484 ' C ' ' H ' ' A' ' 67' ' ' HIS . 44.2 m -73.83 -49.22 26.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.119 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.1 p -76.0 30.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.235 0.541 . . . . 1.0 110.62 -178.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.484 ' H ' ' C ' ' A' ' 65' ' ' SER . 23.8 m80 59.36 9.68 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.683 -0.69 . . . . 1.0 112.452 175.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.38 145.23 28.44 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.2 t 65.73 149.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.306 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -142.14 174.93 10.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.066 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -131.38 130.64 42.88 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.026 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -117.57 137.03 52.87 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.345 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -90.68 128.1 36.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.19 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -147.1 97.56 2.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.859 0.361 . . . . 1.0 110.19 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.94 -100.34 1.47 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.725 -0.95 . . . . 1.0 110.725 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -128.17 -25.48 2.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.795 0.331 . . . . 1.0 110.422 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.9 t -89.42 144.73 25.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.64 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 41.6 mtp -97.36 99.78 11.22 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.185 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.4 mm -79.31 132.19 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.89 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -110.7 142.92 41.97 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.365 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.3 p -153.83 -178.21 6.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.633 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.7 163.26 27.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.755 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -70.91 -60.47 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.658 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 18.0 t70 -162.02 -169.96 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.461 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.479 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 11.2 mm -73.48 70.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.607 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -154.28 -30.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.3 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 44.8 t -81.22 -34.29 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.72 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.48 -61.05 2.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.803 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -38.95 69.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.767 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 42.1 ttm -51.26 -46.11 62.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.574 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.1 tp -58.57 -42.73 88.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.283 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -67.77 -63.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.904 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -40.2 -31.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.705 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.402 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -69.95 -66.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 1.0 111.015 -178.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.6 mp -59.94 -5.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.794 -0.447 . . . . 1.0 109.794 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.402 ' H ' ' C ' ' A' ' 94' ' ' ALA . 57.3 t60 -73.28 -63.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.405 178.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -56.71 -16.34 6.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.486 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.76 -71.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.465 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.403 179.471 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.865 0.364 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -55.45 -43.43 75.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.539 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.4 p -60.29 -44.37 95.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.483 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.523 ' O ' HD13 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -44.43 -37.44 3.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.227 -179.78 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -63.87 -58.54 6.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.581 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' B' ' 18' ' ' GLU . 41.1 ttm180 -52.38 -45.17 65.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.908 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 90.8 t -45.68 -23.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.439 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 29.7 m -76.13 -41.17 50.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.349 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' B' ' 15' ' ' ARG . 81.3 tt0 -56.96 -18.16 12.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.678 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 51.9 mt -70.94 -63.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.796 -0.362 . . . . 1.0 110.742 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -48.37 -63.88 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.837 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -47.5 -37.49 12.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.213 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.65 4.9 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.367 . . . . 1.0 110.684 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.5 tp -121.79 -17.51 7.36 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.185 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.71 77.07 0.8 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.976 -0.849 . . . . 1.0 110.976 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -164.09 114.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 1.0 110.538 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -51.2 -26.42 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.769 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -75.91 -47.04 26.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.201 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -75.64 -35.14 60.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.174 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.63 -43.72 95.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.206 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -73.54 -33.04 64.52 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.636 -0.426 . . . . 1.0 111.304 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 88.9 mt -66.29 -35.62 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.745 -0.382 . . . . 1.0 109.986 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 7.4 mmt -60.81 -36.7 79.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.367 178.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -62.34 -33.98 75.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.733 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 18.8 tp -70.85 -54.37 11.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.337 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 34.8 mt -58.82 -12.95 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.795 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -78.89 -40.08 33.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.572 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 47.1 t -71.63 -37.03 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.687 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 34.6 p -173.51 161.69 4.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.666 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.507 ' OE2' ' N ' ' B' ' 39' ' ' GLU . 1.8 mp0 -72.41 156.01 39.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.399 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.22 144.25 18.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.867 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.8 m -80.12 166.68 21.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.188 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.579 HG23 ' N ' ' B' ' 43' ' ' GLY . 24.2 m -54.42 -50.34 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.69 -0.404 . . . . 1.0 110.644 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.579 ' N ' HG23 ' B' ' 42' ' ' VAL . . . -61.06 -34.54 88.31 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.184 -0.766 . . . . 1.0 111.184 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 50.1 m170 -66.03 -27.18 67.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.321 . . . . 1.0 110.731 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.0 mt -70.26 -22.28 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.239 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.528 ' O ' ' N ' ' B' ' 50' ' ' ASN . 7.6 m -53.57 -55.77 22.82 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.438 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -45.13 -21.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.429 HE21 ' HB2' ' B' ' 48' ' ' GLN . 5.2 tp-100 -90.11 -45.27 9.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.162 178.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 38.9 mt -134.25 59.29 1.74 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.004 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' B' ' 46' ' ' SER . 40.9 m-80 -48.6 96.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.792 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 72.3 mt -137.1 -78.94 0.39 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.387 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -157.75 132.14 8.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.357 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.564 ' H ' ' CD ' ' B' ' 53' ' ' GLN . 25.4 mp0 -63.39 -50.19 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.684 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.1 p -48.7 -30.98 6.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.695 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -74.06 -39.59 63.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.418 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.63 -44.58 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.318 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.4 p -59.98 -38.47 82.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.269 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -67.32 -40.3 85.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.545 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -66.69 -62.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.355 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -44.72 -27.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.968 -0.293 . . . . 1.0 111.348 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -70.18 -37.41 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.585 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.37 -35.1 79.28 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.575 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.571 ' N ' HD12 ' B' ' 63' ' ' LEU . 8.1 mp -69.88 -25.62 63.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.313 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -61.28 -45.08 95.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.667 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.469 ' O ' ' CE1' ' B' ' 67' ' ' HIS . 26.6 t -54.5 -36.37 64.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.718 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.9 0.41 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.459 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.469 ' CE1' ' O ' ' B' ' 65' ' ' SER . 13.4 m80 65.6 12.98 8.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.352 178.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 71.7 mt -76.96 -108.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.368 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.2 m -43.38 156.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.843 0.354 . . . . 1.0 111.084 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -149.03 172.54 14.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 1.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.12 131.71 11.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.949 0.404 . . . . 1.0 110.632 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' LYS . . . . . 0.454 ' CB ' ' NZ ' ' B' ' 72' ' ' LYS . 8.4 mtpm? -110.04 161.82 15.15 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.399 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.46 ' N ' ' CD ' ' B' ' 73' ' ' ARG . 0.8 OUTLIER -89.95 124.89 35.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.959 178.465 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -152.68 93.99 1.83 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.666 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.02 28.58 53.91 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.307 -0.717 . . . . 1.0 111.307 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 71.7 18.78 5.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.925 0.393 . . . . 1.0 110.535 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 6.4 t -126.88 132.07 51.02 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.332 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.443 ' SD ' ' N ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -84.33 110.91 18.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.467 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.0 mm -93.12 120.87 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.606 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -96.15 132.95 41.03 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.603 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 18.9 p -132.19 161.14 34.12 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.256 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' B' ' 84' ' ' ASP . 10.5 tp -78.27 65.32 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.892 -178.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 50.65 -86.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.119 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 82' ' ' LEU . 12.6 m-20 -148.94 168.99 21.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.098 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 pt -61.29 -2.15 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.753 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.44 ' O ' HG22 ' B' ' 89' ' ' THR . 34.0 m170 -71.0 -80.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.352 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 61.7 t -45.92 -20.45 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.748 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' B' ' 86' ' ' HIS . . . -59.37 -61.48 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.646 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' THR . . . . . 0.44 HG22 ' O ' ' B' ' 86' ' ' HIS . 0.9 OUTLIER -61.47 -28.85 69.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.594 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 9.1 ttt -62.75 -38.01 88.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.284 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' LEU . . . . . 0.5 HD23 ' O ' ' B' ' 91' ' ' LEU . 1.1 tt -57.51 -48.52 79.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 1.0 109.766 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -65.2 -56.0 15.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.735 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -46.43 -28.33 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.447 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.23 -66.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 1.0 110.836 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.1 tt -55.04 -14.02 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.76 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -68.59 -58.46 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.609 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -60.07 -21.21 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.607 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.3 -76.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.383 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.0 p30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.293 179.027 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.786 0.327 . . . . 1.0 110.478 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.6 -38.42 62.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.635 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' ARG . 87.9 m -53.54 -67.17 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.78 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.57 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.0 mp -46.75 -33.94 4.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.351 -179.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -72.87 -35.52 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.991 0.424 . . . . 1.0 110.074 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 12' ' ' THR . 38.4 ttm180 -75.55 -51.8 12.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.877 -0.602 . . . . 1.0 110.768 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.3 t -50.91 -38.93 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.755 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.8 m -68.03 -36.62 80.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.636 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.99 -22.32 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.891 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.3 mm -70.54 -32.42 49.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.422 -0.353 . . . . 1.0 110.884 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.444 ' CE2' HD11 ' B' ' 23' ' ' LEU . 58.5 m-85 -77.31 -63.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.894 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -50.52 -26.27 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 1.0 110.469 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.52 3.19 9.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.842 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.1 mt -130.97 15.24 5.23 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.184 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.99 -65.05 3.84 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.804 -0.918 . . . . 1.0 110.804 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -48.04 120.87 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 1.0 110.73 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -68.58 -25.15 64.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.858 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -57.23 -37.65 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.92 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.53 -22.2 59.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.995 -178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.7 mt -76.87 -35.93 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.949 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -70.49 -32.06 69.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.844 -0.343 . . . . 1.0 110.675 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -71.5 -53.34 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.58 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.403 ' O ' ' OG ' ' A' ' 36' ' ' SER . 56.5 mtt -49.83 -34.06 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.783 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -66.07 -40.19 90.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.919 0.39 . . . . 1.0 110.624 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.524 HD23 HE22 ' A' ' 48' ' ' GLN . 0.2 OUTLIER -61.99 -57.06 13.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.064 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 35' ' ' LEU . 10.1 mp -54.7 -22.37 13.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.711 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 32' ' ' MET . 2.0 m -63.18 -33.63 75.9 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.424 -0.51 . . . . 1.0 109.841 178.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 t -78.76 -38.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.429 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.8 p -169.48 130.71 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.87 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.595 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.3 pm0 -48.14 172.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.867 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.49 146.2 19.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.551 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.6 t -89.53 -170.21 2.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.564 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -69.88 -61.45 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.114 0.483 . . . . 1.0 110.586 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.51 -37.68 89.15 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -71.92 -43.37 65.42 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.6 tt -73.21 -18.37 18.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.259 -0.576 . . . . 1.0 111.003 -176.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.555 ' CB ' HE22 ' A' ' 53' ' ' GLN . 5.3 m -63.13 -15.32 56.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.008 0.432 . . . . 1.0 110.536 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.504 ' ND1' ' N ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -81.99 -11.23 58.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.136 179.211 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.524 HE22 HD23 ' A' ' 34' ' ' LEU . 33.5 tp60 -75.04 -45.85 38.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.928 -178.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.4 tp -171.19 -30.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.147 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' SER . 15.3 m120 -84.35 129.14 34.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.567 -0.288 . . . . 1.0 110.899 -178.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.607 ' N ' HD12 ' A' ' 51' ' ' LEU . 8.4 mp -87.91 -63.84 1.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.895 0.379 . . . . 1.0 110.018 178.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 m -72.4 141.94 48.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.63 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.555 HE22 ' CB ' ' A' ' 46' ' ' SER . 46.8 mm-40 -80.94 -51.56 8.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.913 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -44.79 -27.64 0.54 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.868 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -67.31 -44.4 79.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.621 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.33 -34.65 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.828 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -57.3 -40.72 78.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.023 0.44 . . . . 1.0 109.945 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.32 -52.23 59.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.292 178.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -49.53 -63.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.023 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.6 mt -42.49 -25.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.454 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -70.86 -42.14 70.49 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.965 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 62' ' ' LEU . 3.2 mm? -67.59 -47.96 68.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.59 -179.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.5 mt -55.87 -27.26 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.667 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -72.04 -31.86 66.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.404 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.474 ' C ' ' H ' ' A' ' 67' ' ' HIS . 15.0 t -55.37 -57.81 10.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.664 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.546 ' O ' HG22 ' A' ' 66' ' ' VAL . 2.6 p -62.94 0.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.258 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.474 ' H ' ' C ' ' A' ' 65' ' ' SER . 39.1 t-80 64.47 15.1 9.35 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.18 177.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.406 ' H ' HG13 ' A' ' 66' ' ' VAL . 21.2 tp -64.08 -113.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.725 -0.472 . . . . 1.0 109.725 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 68' ' ' LEU . 20.9 m -46.93 174.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.402 . . . . 1.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -142.53 175.01 10.12 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.051 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.04 158.78 38.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.423 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 79' ' ' ILE . 30.3 ttmt -149.69 116.99 6.05 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.599 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -60.53 151.22 29.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.182 0.515 . . . . 1.0 111.408 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -153.06 87.67 1.28 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.27 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 74.12 62.92 2.8 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 57.56 1.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.453 0.168 . . . . 1.0 111.435 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 75' ' ' GLY . 61.1 m -108.73 132.57 53.82 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.802 0.334 . . . . 1.0 110.367 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.412 ' H ' ' HG2' ' A' ' 78' ' ' MET . 15.6 ptt? -98.46 118.29 34.82 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.394 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 79' ' ' ILE . 10.4 tp -95.44 123.26 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.48 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.434 ' CE2' ' CD2' ' A' ' 35' ' ' LEU . 14.7 t80 -101.4 136.06 41.87 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.211 -0.45 . . . . 1.0 109.941 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 p -165.86 -160.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.879 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.8 mt -78.81 176.72 9.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.829 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -93.71 -63.18 1.23 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.921 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.457 ' O ' HG23 ' A' ' 85' ' ' ILE . 74.3 m-20 -145.69 -83.56 0.13 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.24 -177.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.626 ' C ' HD12 ' A' ' 85' ' ' ILE . 2.4 pp -156.93 -2.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.526 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.617 ' N ' HD12 ' A' ' 85' ' ' ILE . 52.7 m80 -77.84 -35.87 50.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.176 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 37.0 t -67.13 -43.33 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.549 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.37 -52.94 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.456 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.7 m -49.21 -31.12 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.377 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.6 tpp -62.62 -41.59 99.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.629 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.5 mt -72.36 -49.94 30.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.914 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -56.99 -24.13 51.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.223 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -86.08 -23.56 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 1.0 110.551 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.16 -47.59 42.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.508 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.4 mm -68.18 -23.69 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.524 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.508 ' NE2' ' ND1' ' B' ' 86' ' ' HIS . 43.5 t60 -67.33 -60.24 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.792 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -63.17 -18.3 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.992 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.33 -77.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.9 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 19.7 p30 . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.713 -179.57 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.796 0.331 . . . . 1.0 110.582 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -75.77 -30.42 59.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.526 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.4 p -52.05 -37.66 54.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.597 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.58 ' N ' HD12 ' B' ' 13' ' ' LEU . 7.9 mp -77.41 -36.25 53.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.198 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.75 -10.59 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.707 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' B' ' 17' ' ' THR . 92.8 mtt180 -93.48 -70.12 0.72 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.887 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.6 m -44.24 -15.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.316 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.514 ' N ' ' O ' ' B' ' 15' ' ' ARG . 16.1 p -78.75 -51.78 9.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.14 -178.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' B' ' 22' ' ' ALA . 5.6 pt-20 -64.45 -16.02 61.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.821 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 35.7 mm -67.31 -37.57 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.661 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -70.88 -66.72 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.488 -0.324 . . . . 1.0 111.01 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -55.17 -21.88 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.473 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' B' ' 18' ' ' GLU . . . -50.51 -32.92 19.62 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.908 -0.317 . . . . 1.0 110.952 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -129.94 58.38 1.65 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.979 0.418 . . . . 1.0 110.733 -179.67 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.36 -22.12 38.7 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -81.47 130.45 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 1.0 110.886 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' B' ' 29' ' ' ILE . 67.7 m-85 -51.98 -71.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.307 -178.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -33.66 -34.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.337 0.495 . . . . 1.0 112.337 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' B' ' 26' ' ' TYR . 94.8 mtt180 -72.13 -34.76 68.8 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.994 -0.282 . . . . 1.0 111.709 -177.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' B' ' 26' ' ' TYR . 6.0 tt -59.18 -29.34 41.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.641 -0.423 . . . . 1.0 110.703 -177.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -78.92 -33.79 45.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.322 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -58.25 -47.26 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.761 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 53.7 mtm -70.36 -36.64 74.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.998 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -56.13 -32.55 64.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 24.0 tp -71.57 -46.25 59.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.378 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 31.1 mt -63.49 -5.79 4.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -84.49 -57.98 2.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.311 . . . . 1.0 110.369 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 15.3 t -59.65 -39.75 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.562 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -165.5 153.16 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.461 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.573 ' H ' ' CD ' ' B' ' 39' ' ' GLU . 1.8 mp0 -67.4 162.83 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.509 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.06 134.57 10.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.5 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.6 p -81.4 -164.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.643 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.473 ' O ' HG22 ' B' ' 45' ' ' ILE . 96.3 t -77.58 -66.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.911 -179.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.55 -19.35 18.96 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.604 -0.598 . . . . 1.0 111.604 -178.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -79.39 -12.92 59.9 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.76 -0.259 . . . . 1.0 111.571 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.473 HG22 ' O ' ' B' ' 42' ' ' VAL . 9.1 tp -75.93 -22.58 15.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.734 -0.387 . . . . 1.0 110.694 -178.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.2 m -55.61 -8.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.86 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' HIS . . . . . 0.413 ' H ' ' C ' ' B' ' 45' ' ' ILE . 2.0 m-70 -86.11 -31.3 21.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.603 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -95.91 -57.56 2.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.428 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' B' ' 51' ' ' LEU . 9.8 mp -97.16 50.63 1.09 Allowed 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.942 -0.392 . . . . 1.0 109.942 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' B' ' 50' ' ' ASN . 1.5 m120 -46.71 87.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.895 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' B' ' 49' ' ' LEU . 16.2 tp -160.84 -68.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.408 -177.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -158.59 138.75 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.587 -0.279 . . . . 1.0 110.404 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.449 ' H ' ' CD ' ' B' ' 53' ' ' GLN . 23.3 mp0 -77.27 -48.68 16.85 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.935 -0.306 . . . . 1.0 110.778 179.325 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.482 ' O ' ' CE1' ' B' ' 58' ' ' HIS . 11.6 t -49.43 -29.75 6.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.762 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -66.87 -41.5 87.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.496 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 57.3 t -73.92 -37.17 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.598 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.0 p -58.83 -31.76 68.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.202 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' HIS . . . . . 0.482 ' CE1' ' O ' ' B' ' 54' ' ' SER . 15.9 m170 -76.31 -63.13 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.397 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -46.52 -44.35 17.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.696 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.6 tp -58.15 -33.38 69.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 1.0 110.525 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -61.94 -30.93 71.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.67 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.565 HD22 ' N ' ' B' ' 62' ' ' LEU . 3.0 mm? -78.82 -25.8 44.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.043 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 25.5 tp -73.63 -33.58 64.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.261 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' LYS . . . . . 0.401 ' C ' ' H ' ' B' ' 67' ' ' HIS . 34.9 ttmt -71.7 -26.97 62.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.653 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 9.3 t -48.92 -52.22 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.056 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.8 t -79.92 -4.5 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.093 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' B' ' 69' ' ' VAL . 94.7 m-70 56.56 25.63 10.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.295 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.15 -10.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.966 -0.383 . . . . 1.0 109.966 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' B' ' 67' ' ' HIS . 16.2 m -146.66 173.29 2.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.534 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -136.87 150.03 48.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.134 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -133.43 159.66 39.68 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.371 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -135.42 146.98 48.82 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.376 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 66.8 mtm-85 -90.96 135.47 33.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.23 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -140.78 92.89 2.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.888 0.375 . . . . 1.0 110.37 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.82 -76.39 1.75 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.249 -0.74 . . . . 1.0 111.249 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -154.49 -18.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.739 0.304 . . . . 1.0 110.814 -178.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 67.3 m -87.32 133.69 33.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.843 0.354 . . . . 1.0 110.632 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.447 ' O ' ' CE2' ' B' ' 80' ' ' TYR . 44.6 mtt -92.68 96.18 10.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.492 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.686 ' N ' HD12 ' B' ' 79' ' ' ILE . 1.5 mp -82.31 150.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.85 -0.426 . . . . 1.0 109.85 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.447 ' CE2' ' O ' ' B' ' 78' ' ' MET . 73.7 m-85 -130.01 146.11 51.68 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.205 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.3 m -159.51 -169.53 2.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.576 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.601 HD22 ' N ' ' B' ' 82' ' ' LEU . 3.1 mm? -69.22 171.95 7.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.179 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' B' ' 84' ' ' ASP . 8.8 t70 -84.36 -89.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.684 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 45.6 t0 -147.32 42.62 1.1 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.39 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.564 HG22 ' N ' ' B' ' 86' ' ' HIS . 33.8 mt 66.09 167.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 O-C-N 123.406 0.441 . . . . 1.0 110.152 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.564 ' N ' HG22 ' B' ' 85' ' ' ILE . 4.2 m170 87.23 -41.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.793 0.683 . . . . 1.0 110.211 -177.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 66.7 t -73.17 -49.13 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.945 0.403 . . . . 1.0 110.46 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.67 -56.73 14.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.049 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 1.5 t -48.12 -40.37 23.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.856 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 37.3 ttm -49.28 -44.45 44.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 1.0 110.27 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.23 -41.07 99.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.666 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' B' ' 94' ' ' ALA . 62.1 tttm -66.41 -62.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.877 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -45.5 -18.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.093 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' B' ' 92' ' ' LYS . . . -76.2 -43.84 40.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.55 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 14.9 mm -72.41 -16.54 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.734 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -74.26 -46.44 41.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.706 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -75.83 -26.33 57.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.582 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -43.57 -24.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.349 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 C--N 1.33 -0.256 0 C-N-CA 120.738 -0.385 . . . . 1.0 111.167 -179.361 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.6 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.581 0.229 . . . . 1.0 111.3 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.82 -31.0 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 1.0 110.141 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 13' ' ' LEU . 13.8 t -70.75 -39.18 73.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.541 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.471 ' N ' HG23 ' A' ' 12' ' ' THR . 16.4 tp -56.27 -27.6 55.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.553 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -69.06 -61.23 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.339 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -53.55 -21.08 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.281 0.475 . . . . 1.0 112.281 -175.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.2 t -48.36 -50.24 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.546 -0.462 . . . . 1.0 110.911 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 18' ' ' GLU . 11.3 t -59.78 -40.41 88.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.838 -178.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' N ' HG23 ' A' ' 17' ' ' THR . 10.2 mm-40 -55.44 -20.78 13.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.651 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.4 mt -69.62 -70.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.012 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -44.14 -64.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.258 -177.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -42.51 -39.62 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.274 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.413 ' C ' HD12 ' A' ' 23' ' ' LEU . . . -63.46 -28.68 70.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.277 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 23' ' ' LEU . 10.1 mp -100.57 22.39 11.88 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 110.204 -0.295 . . . . 1.0 110.204 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.18 -75.19 0.26 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.281 -0.728 . . . . 1.0 111.281 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -44.8 138.72 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.898 0.38 . . . . 1.0 110.982 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.408 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 49.1 p90 -68.14 -40.73 82.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.923 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' CD2' ' A' ' 26' ' ' TYR . 64.0 t30 -45.71 -35.5 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.858 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -66.46 -34.39 77.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.962 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -69.25 -28.44 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 1.0 111.158 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.505 HH21 ' CD2' ' A' ' 49' ' ' LEU . 53.1 ttp180 -79.66 -38.55 33.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.744 0.306 . . . . 1.0 111.01 -178.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.2 mt -56.65 -26.68 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.033 -0.358 . . . . 1.0 110.033 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.636 ' SD ' HD23 ' A' ' 91' ' ' LEU . 34.8 ttm -81.99 -33.45 30.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.603 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.68 -45.96 87.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.186 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.466 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -68.74 -53.59 21.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.034 0.445 . . . . 1.0 110.41 -178.461 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.72 -29.34 70.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.69 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -55.55 -69.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.57 -177.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.5 p -52.99 -29.13 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.577 -0.283 . . . . 1.0 111.312 -176.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 t -160.24 145.32 14.85 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.925 -0.31 . . . . 1.0 110.626 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -73.42 155.25 39.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.522 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.37 152.78 26.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 1.0 110.877 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 t -86.86 163.57 17.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.017 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.563 HG13 ' N ' ' A' ' 43' ' ' GLY . 11.8 p -47.46 -46.15 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 1.0 110.705 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.563 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -64.86 -39.67 96.73 Favored Glycine 0 CA--C 1.527 0.793 0 C-N-CA 121.327 -0.463 . . . . 1.0 112.19 -176.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.527 ' O ' ' CE1' ' A' ' 47' ' ' HIS . 32.2 m170 -73.97 -36.59 64.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.973 0.387 . . . . 1.0 111.775 -176.103 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 tt -76.8 -13.74 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.614 -0.434 . . . . 1.0 110.439 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.9 m -56.02 -45.53 79.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.203 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 44' ' ' HIS . 4.4 p-80 -58.67 -11.16 2.81 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.711 -0.395 . . . . 1.0 110.769 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 48' ' ' GLN . 0.4 OUTLIER -74.74 -42.73 57.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.117 179.75 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.505 ' CD2' HH21 ' A' ' 30' ' ' ARG . 31.9 mt -96.74 -30.78 13.01 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.333 179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 55.82 63.07 2.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.266 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.6 mt -143.22 -163.03 1.55 Allowed 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.118 -0.697 . . . . 1.0 109.118 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.5 t -71.69 126.76 30.54 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.919 -0.312 . . . . 1.0 110.237 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -52.65 -18.89 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.984 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.4 p -78.8 -20.13 50.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.745 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -72.97 -44.28 61.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.145 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 57' ' ' SER . 7.6 p -74.35 -38.95 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.016 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' HG13 ' A' ' 56' ' ' VAL . 53.4 p -60.57 -39.72 89.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.992 -178.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -73.24 -38.24 66.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.862 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -73.09 -32.77 65.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.075 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.28 -35.0 78.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.576 -0.284 . . . . 1.0 110.822 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.4 -35.79 80.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 1.0 110.627 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.6 tp -56.43 -32.7 65.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.427 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 mt -75.56 -25.31 56.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.044 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -69.91 -12.37 61.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.71 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.2 m -52.03 -61.26 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.935 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.3 m -88.81 27.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.944 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 55.7 33.3 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.162 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.1 tp -70.59 -16.21 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 1.0 110.656 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 70' ' ' LYS . 96.6 t -139.97 159.03 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.695 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.5 ' N ' HG12 ' A' ' 69' ' ' VAL . 31.3 ttmt -131.25 140.19 49.79 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.851 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.75 128.19 49.59 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.913 -177.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.46 122.04 44.69 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 177.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -85.03 123.51 30.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 1.0 111.246 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -128.71 108.12 10.22 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.246 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.85 -87.07 0.02 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.16 -0.776 . . . . 1.0 111.16 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -143.28 -10.5 0.74 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.666 0.27 . . . . 1.0 110.429 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.7 t -87.54 131.71 34.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.295 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 41.3 mmm -92.59 89.02 6.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.096 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.682 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.8 mp -84.06 161.7 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.476 ' N ' HG22 ' A' ' 79' ' ' ILE . 75.3 m-85 -138.22 152.1 48.29 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.063 0.459 . . . . 1.0 110.62 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.492 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 5.7 t -151.7 180.0 7.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.061 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.492 ' N ' ' OG ' ' A' ' 81' ' ' SER . 23.6 mt -66.14 155.92 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.922 -0.311 . . . . 1.0 110.374 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -72.8 -38.42 67.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.399 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -159.23 -172.57 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.0 109.778 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.5 tt -79.61 -29.9 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 1.0 110.994 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -57.92 -15.84 10.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.983 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.9 t -70.27 -46.16 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 1.0 111.133 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.96 -15.0 62.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.061 -178.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.4 p -79.26 -65.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.986 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.442 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 11.3 ptt? -50.11 -45.47 52.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.219 -178.011 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.636 HD23 ' SD ' ' A' ' 32' ' ' MET . 0.3 OUTLIER -57.38 -63.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 1.0 110.64 -177.899 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -51.19 -62.49 1.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.145 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 93' ' ' GLN . 11.0 tm0? -51.28 -17.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.372 -177.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -64.58 -63.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 1.0 111.056 -178.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.4 pt -64.2 -16.98 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.134 -177.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -75.26 -39.52 59.75 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.221 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -52.03 -64.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.367 -0.533 . . . . 1.0 109.782 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.14 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.41 . . . . 1.0 109.975 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 1.0 109.973 177.606 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.9 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.702 0.287 . . . . 1.0 110.652 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 21.9 p-10 -60.61 -50.78 72.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 1.0 111.183 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.413 ' H ' HG22 ' B' ' 12' ' ' THR . 1.1 t -65.69 -23.49 66.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.832 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.481 ' O ' HD13 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -71.25 -48.81 48.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.403 -178.887 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -73.3 -9.87 59.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.649 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 19.0 tpt85 -83.56 -57.3 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.789 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.4 m -51.99 -12.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.361 -178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.1 m -85.51 -52.72 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 1.0 111.166 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.19 -26.46 62.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.615 -176.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.577 HG23 ' N ' ' B' ' 20' ' ' PHE . 13.6 tt -53.05 -46.96 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.724 -178.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.577 ' N ' HG23 ' B' ' 19' ' ' ILE . 64.8 m-85 -67.73 -52.97 31.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 1.0 110.559 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -50.32 -15.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.99 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' B' ' 20' ' ' PHE . . . -82.52 -3.97 56.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.417 -178.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.464 ' O ' HD12 ' B' ' 23' ' ' LEU . 1.7 pp -151.42 50.92 0.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.011 0.434 . . . . 1.0 110.723 -178.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.39 -74.51 0.94 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -42.9 146.96 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 1.0 111.175 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -79.66 -24.81 41.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.04 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -57.63 -43.09 84.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.491 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -69.79 -23.91 63.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.8 0.333 . . . . 1.0 110.769 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.4 mm -70.92 -30.86 43.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.812 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -67.06 -30.24 70.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.931 0.396 . . . . 1.0 110.43 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -72.72 -42.73 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.516 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 7.6 tpt -58.32 -38.88 78.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.699 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -62.73 -32.73 73.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.455 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.457 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -64.65 -54.44 31.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.136 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' B' ' 38' ' ' SER . 14.8 mt -44.07 -64.86 0.59 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.902 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' B' ' 37' ' ' VAL . 19.0 p -41.79 -56.1 2.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.409 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.424 ' N ' ' OG ' ' B' ' 36' ' ' SER . 98.2 t -49.38 -41.46 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.492 -179.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' SER . . . . . 0.406 ' O ' ' O ' ' B' ' 35' ' ' LEU . 22.9 t -169.4 159.18 8.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.6 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' B' ' 39' ' ' GLU . 32.9 mp0 -80.07 147.16 31.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.206 179.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.41 145.06 18.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 1.0 110.764 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -81.05 171.72 14.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.195 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.573 HG13 ' N ' ' B' ' 43' ' ' GLY . 8.0 p -52.3 -49.06 43.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.782 -0.367 . . . . 1.0 110.679 -178.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.573 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -63.06 -52.44 47.73 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.716 -0.554 . . . . 1.0 111.716 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -52.24 -29.41 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.723 0.296 . . . . 1.0 111.185 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.2 mt -73.17 -24.42 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.406 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.435 ' O ' ' N ' ' B' ' 50' ' ' ASN . 19.5 p -53.52 -24.15 12.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.763 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -67.02 -11.74 57.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.997 0.427 . . . . 1.0 110.237 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -89.88 -56.15 3.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.398 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.574 HD12 ' N ' ' B' ' 49' ' ' LEU . 9.8 mp -78.02 -26.85 48.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.122 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 46' ' ' SER . 5.5 m120 56.59 28.67 14.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.681 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.447 ' CG ' ' H ' ' B' ' 52' ' ' SER . 5.4 tp -117.33 -138.61 0.36 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.971 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.447 ' H ' ' CG ' ' B' ' 51' ' ' LEU . 13.6 t -85.99 153.3 22.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.611 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -82.25 -43.3 17.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.987 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 28.0 t -56.68 -31.21 64.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.826 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -57.43 -39.16 75.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.616 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 t -78.8 -30.98 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.684 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 9.8 t -62.37 -45.74 91.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.515 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -66.14 -61.99 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.535 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -48.91 -53.59 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.896 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.0 tp -49.67 -29.49 7.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.887 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -67.93 -32.27 72.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.856 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.572 ' N ' HD12 ' B' ' 62' ' ' LEU . 9.9 mp -68.34 -44.91 74.25 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.831 -0.348 . . . . 1.0 110.128 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.551 ' N ' HD12 ' B' ' 63' ' ' LEU . 10.0 mp -55.82 -24.49 36.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.182 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -71.33 -24.31 62.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.427 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.413 ' O ' ' CE1' ' B' ' 67' ' ' HIS . 43.4 t -46.91 -61.29 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.771 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 13.6 m -79.99 2.28 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.545 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.444 ' C ' ' N ' ' B' ' 69' ' ' VAL . 5.9 m-70 64.94 28.23 12.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.869 -0.605 . . . . 1.0 111.419 178.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 7.3 tp -48.09 -15.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 1.0 110.377 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.444 ' N ' ' C ' ' B' ' 67' ' ' HIS . 33.0 m -150.03 -175.86 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.693 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -151.65 115.92 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.352 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' ALA . . . . . 0.489 ' HB2' ' CD2' ' B' ' 80' ' ' TYR . . . -102.6 146.53 28.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.57 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -122.17 162.29 21.6 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.033 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.411 ' H ' ' HG2' ' B' ' 73' ' ' ARG . 35.7 ptt180 -96.37 139.2 32.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.874 0.369 . . . . 1.0 110.644 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -147.91 105.34 3.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.427 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.69 -91.13 0.32 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -148.42 15.36 1.0 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 1.0 110.592 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 47.5 m -121.72 130.07 53.18 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.353 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mtp -86.92 96.3 10.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.217 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.6 tt -81.45 148.12 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.826 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.489 ' CD2' ' HB2' ' B' ' 71' ' ' ALA . 94.2 m-85 -127.01 140.88 51.98 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.555 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 51.1 m -156.5 -174.95 5.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.359 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 16.7 mt -70.97 167.2 19.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.729 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -77.87 -56.59 4.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.631 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.443 ' O ' HG23 ' B' ' 85' ' ' ILE . 6.2 m-20 -155.24 -80.41 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.915 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.443 HG23 ' O ' ' B' ' 84' ' ' ASP . 19.1 pt -156.78 -28.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.252 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -57.06 -40.94 77.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.745 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.566 HG13 ' N ' ' B' ' 88' ' ' ALA . 12.8 p -64.27 -45.49 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.548 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.566 ' N ' HG13 ' B' ' 87' ' ' VAL . . . -62.13 -25.54 67.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.542 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 18.3 m -73.67 -54.7 7.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.668 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 20.4 ttt -50.6 -55.2 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.781 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.8 tp -47.59 -59.93 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.298 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -58.9 -62.1 2.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.779 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -39.86 -36.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.575 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.4 -69.05 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 1.0 110.741 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.6 tt -56.06 -19.05 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.08 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -73.46 -18.97 61.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.268 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' HIS . . . . . 0.467 ' C ' ' H ' ' B' ' 99' ' ' ASN . 74.6 t60 -71.69 -56.24 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.175 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.13 12.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.969 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.467 ' H ' ' C ' ' B' ' 97' ' ' HIS . 23.9 t-20 . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.464 -0.335 . . . . 1.0 110.704 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.6 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.825 0.345 . . . . 1.0 110.349 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 11' ' ' ASP . 1.9 m-20 -81.22 -25.2 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.641 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.6 p -68.95 -61.11 1.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.582 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -53.4 -32.3 48.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.883 179.673 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -71.48 -24.98 62.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.286 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -90.22 -33.91 16.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.626 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.0 t -79.23 -23.59 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.274 -177.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.522 ' OG1' ' NZ ' ' A' ' 21' ' ' LYS . 9.3 t -77.54 -29.7 52.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.522 -0.308 . . . . 1.0 111.069 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' ' 18' ' ' GLU . 7.3 pt-20 -77.69 -17.67 57.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.147 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.62 -51.03 77.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.24 -0.584 . . . . 1.0 110.146 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -64.18 -59.64 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.78 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.522 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 58.4 mttp -47.54 -30.48 3.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.766 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.61 5.98 2.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.104 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' GLY . 54.4 mt -105.17 -7.68 18.88 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.352 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -54.64 -163.81 0.01 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 t70 61.29 95.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 1.0 110.589 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -49.89 -48.12 51.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.96 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -47.13 -34.01 5.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 1.0 111.099 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -77.44 -39.1 47.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.072 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.1 mt -57.06 -41.53 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.734 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -68.67 -30.89 69.68 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.836 -0.346 . . . . 1.0 110.41 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -75.38 -20.12 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 1.0 109.932 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.498 ' O ' ' SD ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -74.29 -36.82 63.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.903 178.287 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -60.72 -32.51 71.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.31 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.39 -42.19 92.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.344 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.2 mt -75.39 -6.43 49.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.611 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -78.44 -51.23 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.704 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.4 p -77.72 -31.81 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.766 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.6 p -172.13 140.24 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.753 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -52.59 175.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.306 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.5 147.23 20.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.787 0.327 . . . . 1.0 110.72 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 t -86.43 -169.55 2.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.81 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.17 -63.49 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.856 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.71 -38.1 94.6 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.483 -0.647 . . . . 1.0 111.483 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -48.26 -32.63 7.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.654 0.264 . . . . 1.0 111.236 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 48' ' ' GLN . 95.9 mt -67.43 -41.58 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.995 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' ASN . 85.3 p -45.54 -17.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.279 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' ILE . 64.0 t-80 -96.87 -25.88 15.28 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.781 0.324 . . . . 1.0 110.884 -179.044 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 45' ' ' ILE . 44.6 tp60 -66.12 -45.48 80.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.898 -177.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 49' ' ' LEU . 2.2 tt -166.72 -50.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.101 0.477 . . . . 1.0 110.148 -178.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 46' ' ' SER . 29.0 m120 -72.21 175.25 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.595 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -150.55 34.22 0.63 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.055 0.455 . . . . 1.0 109.926 -179.055 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -151.26 122.43 7.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.163 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -72.57 -20.62 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.868 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.5 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 48.6 m -77.57 -31.61 53.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.681 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -69.62 -45.89 67.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.845 -179.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 57' ' ' SER . 18.0 m -73.71 -37.07 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.896 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.419 ' N ' HG23 ' A' ' 56' ' ' VAL . 13.9 t -53.48 -38.14 63.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.976 0.417 . . . . 1.0 110.464 179.061 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.5 ' CE1' ' O ' ' A' ' 54' ' ' SER . 25.5 m170 -65.37 -51.8 57.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.549 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -50.77 -52.77 37.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.16 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mp -49.21 -27.72 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.223 -178.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -68.76 -42.41 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.797 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.589 ' N ' HD12 ' A' ' 62' ' ' LEU . 9.4 mp -61.23 -29.66 69.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.705 -179.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.64 -32.01 60.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.013 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -60.37 -37.78 81.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.327 . . . . 1.0 110.767 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.4 t -59.59 -57.67 11.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.605 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.436 HG22 ' H ' ' A' ' 66' ' ' VAL . 11.5 m -73.53 6.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.749 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 62.6 m80 46.79 18.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.705 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.43 ' H ' HG23 ' A' ' 66' ' ' VAL . 45.8 tp -57.96 -15.87 10.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.481 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.3 m -147.23 176.29 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.589 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -148.62 124.35 10.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.246 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.76 160.76 14.3 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.746 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -149.32 115.33 5.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.982 -0.554 . . . . 1.0 109.999 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -60.63 148.5 38.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.22 0.533 . . . . 1.0 111.322 -175.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -153.5 81.88 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.28 -0.873 . . . . 1.0 109.877 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.17 -169.83 40.42 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.43 -1.068 . . . . 1.0 110.43 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -56.19 -17.43 7.32 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.988 -0.285 . . . . 1.0 111.071 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.4 m -98.37 141.49 31.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.772 0.32 . . . . 1.0 110.544 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -107.08 87.07 2.42 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.001 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.9 pt -91.22 159.78 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.571 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.406 ' O ' ' OG ' ' A' ' 81' ' ' SER . 36.5 p90 -146.45 -172.51 3.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.701 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 80' ' ' TYR . 17.5 m -167.94 -160.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.434 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 81' ' ' SER . 16.1 mt -59.28 -149.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.669 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -157.31 -18.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.798 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -171.34 168.95 6.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.324 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.0 pt -77.46 0.58 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.725 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -79.73 -30.26 40.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.771 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.4 t -66.93 -43.61 89.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.917 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.15 -39.43 82.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.011 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.4 p -75.78 -46.75 29.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.06 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' A' ' 90' ' ' MET . 1.0 OUTLIER -46.2 -54.33 8.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.895 -178.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.5 tp -61.84 -46.07 91.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.034 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -61.43 -63.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.358 . . . . 1.0 110.841 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -42.31 -28.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.423 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 96' ' ' HIS . . . -71.91 -66.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.866 -0.334 . . . . 1.0 110.759 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.7 mm -50.6 -13.26 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.612 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.44 ' N ' ' C ' ' A' ' 94' ' ' ALA . 7.9 t60 -73.16 -56.98 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.726 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -60.84 -21.29 63.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.726 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -42.46 -52.84 4.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.171 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.415 ' O ' ' OD1' ' A' ' 99' ' ' ASN . 26.7 t-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.494 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.6 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.727 0.299 . . . . 1.0 110.845 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -79.95 -61.62 1.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.329 179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 51.7 p -51.62 -17.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.351 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.416 ' O ' HG22 ' B' ' 16' ' ' VAL . 17.0 tp -71.5 -57.56 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.351 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' B' ' 17' ' ' THR . 5.7 tp10 -49.18 -17.63 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.764 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -75.29 -64.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 1.0 111.035 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' VAL . . . . . 0.416 HG22 ' O ' ' B' ' 13' ' ' LEU . 13.3 m -49.92 -20.29 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.036 -177.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 81.7 p -76.14 -29.56 57.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 1.0 110.451 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -70.74 -17.06 62.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.582 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.7 -46.69 93.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.356 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -67.86 -62.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.804 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -46.89 -30.58 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.607 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.49 7.32 1.89 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.866 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tp -130.74 15.3 5.35 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.11 0.481 . . . . 1.0 109.795 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.641 ' N ' HH21 ' B' ' 28' ' ' ARG . . . -91.1 70.3 2.03 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' B' ' 24' ' ' GLY . 55.7 m-20 -161.33 112.09 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.016 0.436 . . . . 1.0 110.57 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -43.23 -60.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.806 -0.633 . . . . 1.0 111.479 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -56.84 -30.36 63.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.734 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.641 HH21 ' N ' ' B' ' 24' ' ' GLY . 25.7 ttp180 -72.02 -42.38 66.43 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.922 -0.311 . . . . 1.0 111.29 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 95.8 mt -58.17 -31.27 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.983 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.0 -34.47 57.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.032 0.444 . . . . 1.0 110.188 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.41 -32.3 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.36 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 6.8 mmt -74.33 -32.08 62.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.478 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -57.09 -35.6 69.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.465 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' B' ' 37' ' ' VAL . 13.6 tp -70.81 -51.88 23.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.419 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 49.7 mt -48.14 -23.07 0.75 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.31 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.4 p -78.53 -38.11 41.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.281 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 34' ' ' LEU . 55.4 t -82.65 -50.73 15.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.79 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 31.2 t -163.74 144.54 8.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.973 0.416 . . . . 1.0 111.251 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.58 165.98 13.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.661 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.528 ' O ' ' CZ ' ' B' ' 80' ' ' TYR . . . -156.07 156.01 33.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.567 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -94.82 178.07 5.7 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.88 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.66 -58.68 6.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.946 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.83 -37.11 89.88 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.266 -0.733 . . . . 1.0 111.266 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -75.49 -42.82 51.98 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.154 0.428 . . . . 1.0 112.154 -176.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 tp -72.47 -16.32 18.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.404 -0.518 . . . . 1.0 110.546 -177.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.434 ' O ' ' O ' ' B' ' 50' ' ' ASN . 50.8 m -63.69 -66.69 0.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.867 -0.333 . . . . 1.0 111.122 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -55.43 -16.25 3.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.946 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -88.07 3.19 49.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.018 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.47 -67.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.544 -0.462 . . . . 1.0 110.817 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 52' ' ' SER . 40.3 t30 -119.5 148.4 43.32 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.942 0.401 . . . . 1.0 110.838 -177.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.774 ' N ' HD22 ' B' ' 51' ' ' LEU . 1.2 mm? -80.88 -61.62 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.316 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.522 ' O ' ' ND2' ' B' ' 50' ' ' ASN . 31.2 t -59.27 131.18 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.844 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.504 ' H ' ' CD ' ' B' ' 53' ' ' GLN . 19.4 mp0 -80.64 -37.86 30.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.635 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 16.9 t -54.56 -28.68 47.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.963 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -73.48 -46.06 50.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.621 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.22 -40.1 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.602 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.3 t -52.68 -32.7 43.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.319 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' HIS . . . . . 0.406 ' O ' ' ND1' ' B' ' 58' ' ' HIS . 21.8 t-80 -74.71 -33.86 62.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.81 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -68.29 -58.91 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.863 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.8 mt -50.06 -27.97 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.568 -0.287 . . . . 1.0 110.74 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -76.63 -47.11 23.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.505 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 61.1 tp -48.81 -46.53 41.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.103 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.3 -25.92 64.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.523 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -75.03 -10.2 59.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.018 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' B' ' 66' ' ' VAL . 60.7 p -63.17 -61.33 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.888 -0.596 . . . . 1.0 111.074 -179.194 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.421 ' N ' ' OG ' ' B' ' 65' ' ' SER . 4.9 t -66.77 -71.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.911 -177.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.12 18.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.449 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 mt -103.14 149.55 24.52 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.023 -0.362 . . . . 1.0 110.023 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.612 ' H ' ' CG ' ' B' ' 83' ' ' ASP . 5.4 t 64.98 141.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.137 -177.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -135.15 174.83 10.17 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.121 -0.49 . . . . 1.0 109.895 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.05 116.86 3.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.96 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -98.27 150.94 21.0 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.315 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -81.61 118.55 22.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.002 0.429 . . . . 1.0 110.633 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -153.02 107.48 3.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 79.81 -166.38 50.43 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -77.39 30.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.716 0.293 . . . . 1.0 110.657 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' SER . . . . . 0.444 ' H ' ' C ' ' B' ' 75' ' ' GLY . 37.3 m -158.73 174.15 15.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.583 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 19.1 mmt -113.03 116.03 29.28 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.31 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 10.5 tp -87.05 152.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 110.136 -0.32 . . . . 1.0 110.136 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.528 ' CZ ' ' O ' ' B' ' 40' ' ' ALA . 23.1 p90 -142.97 172.32 12.85 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.716 0.293 . . . . 1.0 110.431 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' B' ' 82' ' ' LEU . 27.3 t -169.04 -161.16 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.973 0.416 . . . . 1.0 111.095 -178.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.404 ' N ' ' OG ' ' B' ' 81' ' ' SER . 17.6 tp -58.64 147.41 32.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.687 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ASP . . . . . 0.612 ' CG ' ' H ' ' B' ' 69' ' ' VAL . 5.0 m-20 -63.95 -95.86 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.684 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -100.72 -88.69 0.36 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.433 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 tt -174.77 -29.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.554 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -68.0 0.96 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.729 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 6.9 m -85.42 -33.27 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.226 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.52 -41.55 93.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.274 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 52.8 p -65.82 -36.5 83.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.312 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 3.6 mmt -67.69 -33.78 75.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.297 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.3 tp -63.88 -58.34 7.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.735 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' B' ' 93' ' ' GLN . 8.3 ptmm? -64.48 -54.29 34.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.77 -178.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' B' ' 92' ' ' LYS . 1.4 tm0? -43.88 -30.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.164 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.21 -69.36 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 1.0 111.168 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 13.4 tt -53.91 -18.64 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.908 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -76.82 -48.36 18.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.526 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -61.47 -11.4 10.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.597 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.68 -77.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.309 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.49 179.048 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 11' ' ' ASP . 12.6 t . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.73 0.3 . . . . 1.0 110.742 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 12' ' ' THR . 44.0 p30 -71.13 -21.17 62.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.647 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.482 ' N ' ' OD1' ' A' ' 11' ' ' ASP . 71.0 m -76.52 -58.17 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.532 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -44.83 -33.93 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.303 179.685 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -70.04 -49.26 53.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.982 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 17' ' ' THR . 85.0 mtm180 -62.41 -58.1 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.41 -177.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.6 m -45.61 -12.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 1.0 111.404 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 15' ' ' ARG . 10.8 m -88.25 -38.34 15.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.81 0.338 . . . . 1.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -76.9 -26.12 53.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.755 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.476 HG23 ' N ' ' A' ' 20' ' ' PHE . 10.6 tp -60.74 -40.66 85.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.601 -0.44 . . . . 1.0 110.471 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.476 ' N ' HG23 ' A' ' 19' ' ' ILE . 70.5 m-85 -65.4 -63.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.455 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -49.49 -11.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.076 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' A' ' 20' ' ' PHE . . . -54.42 -38.26 66.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.084 -178.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 23' ' ' LEU . 7.2 mp -70.48 -80.97 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 1.0 110.287 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.86 -116.5 4.26 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.406 -0.677 . . . . 1.0 111.406 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 p30 -59.3 163.77 3.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.03 0.443 . . . . 1.0 111.259 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -87.32 -23.34 24.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.81 -0.632 . . . . 1.0 111.945 -177.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -70.91 -41.13 71.64 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.869 -0.332 . . . . 1.0 111.77 -175.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.01 -48.23 71.85 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.814 -0.355 . . . . 1.0 110.954 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.4 tt -60.75 -19.37 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.824 -0.351 . . . . 1.0 110.538 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -70.69 -30.72 67.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.069 0.461 . . . . 1.0 109.947 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.0 mt -67.53 -29.24 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.054 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.7 mmt -69.82 -31.26 69.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.369 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.17 -64.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.306 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.439 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -49.07 -54.63 15.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.158 0.504 . . . . 1.0 109.694 178.879 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -48.48 -47.71 38.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.365 179.498 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.8 t -43.77 -39.92 4.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.915 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.1 t -61.53 -63.53 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.45 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.3 t -148.76 152.74 37.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.779 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -50.01 159.01 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.299 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' ' CZ ' ' A' ' 80' ' ' TYR . . . -157.23 143.54 17.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.787 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.2 p -97.34 170.25 9.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.325 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.0 t -45.62 -49.18 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.62 -44.68 96.64 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 121.254 -0.498 . . . . 1.0 112.201 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -68.43 -36.63 79.33 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.385 0.513 . . . . 1.0 112.385 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.5 pt -69.57 -23.6 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.286 -0.565 . . . . 1.0 110.64 -177.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 50' ' ' ASN . 10.1 t -49.97 -41.0 45.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 1.0 110.665 179.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -53.76 -11.33 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.713 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' A' ' 46' ' ' SER . 7.9 tp-100 -79.94 -57.4 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.931 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.2 mt -107.48 -29.54 9.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.45 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 46' ' ' SER . 7.9 t-20 64.09 34.17 11.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.935 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 mt -97.49 -157.41 0.59 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.305 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t -74.77 136.12 41.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.565 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -67.24 -18.11 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.685 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.1 t -79.86 -27.15 40.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.644 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -75.45 -44.29 45.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.885 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 57' ' ' SER . 23.0 m -68.37 -38.19 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.751 -178.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 56' ' ' VAL . 20.2 p -59.51 -65.65 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.572 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -41.58 -34.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 1.0 111.138 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -67.59 -52.58 36.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.713 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 tp -45.37 -30.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.692 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -71.37 -40.62 70.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.909 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.18 -43.12 96.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.904 -178.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.14 -24.43 65.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.477 -0.328 . . . . 1.0 110.912 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -67.52 -20.68 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.543 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 67' ' ' HIS . 75.7 m -63.31 -57.87 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.794 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.6 m -69.39 9.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.51 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.482 ' H ' ' C ' ' A' ' 65' ' ' SER . 1.4 m-70 54.37 18.84 2.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.679 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.7 tp -65.22 -13.42 58.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.108 0.48 . . . . 1.0 110.011 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -151.14 179.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.221 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.472 ' CB ' ' NZ ' ' A' ' 70' ' ' LYS . 8.8 mtmp? -143.79 174.01 11.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.147 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.75 159.79 40.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.617 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -148.49 161.34 41.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.247 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 51.5 ttt85 -97.25 146.22 25.32 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.192 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 75' ' ' GLY . 19.9 tt0 -150.44 77.91 1.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.4 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 76' ' ' GLN . . . 31.84 103.02 0.01 OUTLIER Glycine 0 CA--C 1.526 0.776 0 CA-C-N 115.635 -0.711 . . . . 1.0 112.823 177.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 24.3 tp60 88.02 -60.1 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 122.704 0.402 . . . . 1.0 111.29 176.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.1 p -115.42 150.51 36.29 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.874 0.368 . . . . 1.0 110.699 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -113.75 98.86 7.29 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.268 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.711 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.7 mp -78.24 162.14 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.159 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.519 ' N ' HG22 ' A' ' 79' ' ' ILE . 11.2 p90 -149.62 174.68 12.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.358 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 m -162.3 -169.72 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.638 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.573 ' N ' HD12 ' A' ' 82' ' ' LEU . 9.2 mp -61.4 -106.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.354 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -159.05 -95.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.019 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -96.4 -75.23 0.54 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.188 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -178.16 -26.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.018 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -54.64 -62.29 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.462 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.5 m -45.38 -34.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.235 -176.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.55 -52.62 54.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 1.0 110.815 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.412 ' OG1' ' OE1' ' B' ' 93' ' ' GLN . 52.3 p -57.63 -39.95 78.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.89 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.5 ttm -45.64 -46.65 14.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.762 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.5 tp -57.56 -44.6 85.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.19 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.54 -61.27 2.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.274 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -44.93 -20.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.589 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.99 -64.26 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.968 -178.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.616 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.6 mp -61.97 -5.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.633 -0.506 . . . . 1.0 109.633 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -75.63 -47.48 26.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.516 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -61.14 -60.59 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.463 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.26 -31.55 6.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.627 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 51.3 t30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.915 -179.317 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 63.8 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.851 0.357 . . . . 1.0 110.581 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -71.73 -63.73 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.704 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.0 t -61.66 -28.82 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.77 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.0 tp -52.73 -59.03 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.57 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -67.11 -19.64 65.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.244 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -65.85 -20.81 66.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.653 -0.419 . . . . 1.0 110.052 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 95.7 t -67.06 -23.6 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.334 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 72.4 p -86.03 -31.52 21.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.621 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.03 -37.38 87.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.429 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ILE . . . . . 0.436 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 20.2 pt -76.92 -32.42 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.205 178.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -70.1 -60.63 2.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.165 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -52.28 -21.85 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.509 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -47.16 -27.47 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.993 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -73.31 -72.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.613 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.22 -105.9 1.17 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.33 -0.708 . . . . 1.0 111.33 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -47.17 143.24 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 1.0 110.984 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.515 ' CE1' ' OD1' ' B' ' 27' ' ' ASN . 18.3 p90 -79.1 -27.59 42.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.682 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.515 ' OD1' ' CE1' ' B' ' 26' ' ' TYR . 5.2 m120 -56.22 -34.32 66.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.558 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -67.26 -24.25 65.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.696 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 44.6 mm -77.05 -29.21 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.899 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -67.24 -31.66 72.16 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.182 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 8.3 mm -65.27 -45.57 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.185 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 34.6 ttm -56.94 -39.86 75.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.733 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -59.32 -35.31 73.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.644 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.86 -60.93 2.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.279 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 mt -50.02 -21.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.55 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.455 ' OG ' ' N ' ' B' ' 37' ' ' VAL . 14.0 p -68.36 -57.43 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.903 0.382 . . . . 1.0 110.4 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.455 ' N ' ' OG ' ' B' ' 36' ' ' SER . 19.8 t -55.8 -40.58 62.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.383 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 52.7 p -170.04 147.17 3.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.407 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.568 ' H ' ' CD ' ' B' ' 39' ' ' GLU . 14.3 mp0 -62.53 164.59 7.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 1.0 110.638 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.13 142.48 17.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.418 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 62.4 p -83.93 -177.25 6.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.539 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.473 ' O ' HG22 ' B' ' 45' ' ' ILE . 96.1 t -63.46 -60.92 2.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.741 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.89 -25.31 9.39 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.472 -0.651 . . . . 1.0 111.472 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.27 -11.62 60.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.066 -0.253 . . . . 1.0 111.192 -178.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ILE . . . . . 0.473 HG22 ' O ' ' B' ' 42' ' ' VAL . 9.3 tp -70.47 -26.11 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.968 0.413 . . . . 1.0 110.846 -178.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -57.69 -17.38 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.13 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -78.98 -24.92 43.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.304 . . . . 1.0 110.751 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.475 ' N ' ' CD ' ' B' ' 48' ' ' GLN . 14.7 mp0 -88.52 -57.71 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.925 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 15.0 mt -98.16 -47.78 5.35 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.252 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 61.26 63.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.921 -0.399 . . . . 1.0 109.921 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 17.4 tp -134.71 -70.91 0.49 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.595 -177.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 70.6 m -157.43 133.06 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.47 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -74.67 -41.19 60.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 1.0 110.629 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.7 m -57.7 -34.51 69.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.664 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -63.63 -43.4 96.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.463 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 85.2 t -70.81 -35.84 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.901 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.1 p -59.18 -34.83 72.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 1.0 110.551 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -78.98 -34.89 43.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.763 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -75.79 -51.11 13.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.93 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.529 ' O ' HD13 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -51.28 -34.84 34.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.02 0.438 . . . . 1.0 110.04 -179.719 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -67.85 -35.57 78.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.911 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.09 -27.43 69.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.397 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.9 mt -79.33 -23.78 43.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.615 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -66.35 -31.84 72.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.543 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 89.5 p -51.6 -60.76 2.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.49 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.542 HG22 ' O ' ' B' ' 66' ' ' VAL . 2.6 p -67.2 0.31 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.254 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 41.8 m80 55.5 21.39 4.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.859 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.415 ' H ' HG13 ' B' ' 66' ' ' VAL . 37.0 tp -59.24 -13.04 6.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.175 0.512 . . . . 1.0 109.739 178.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -147.73 177.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.116 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -154.38 132.69 11.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.489 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.83 156.72 17.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.418 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -118.25 139.2 51.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.096 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' ARG . . . . . 0.407 ' H ' ' HG3' ' B' ' 73' ' ' ARG . 2.2 ppt_? -88.75 128.31 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.341 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -152.67 88.58 1.35 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.255 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.13 -153.4 32.3 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -81.92 9.44 8.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.548 0.213 . . . . 1.0 110.906 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 53.0 m -129.45 150.12 50.94 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.924 0.392 . . . . 1.0 110.52 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -119.71 148.37 43.47 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.222 179.806 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 77.6 mt -124.28 147.66 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.11 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -118.53 150.05 40.29 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.623 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 13.4 m -159.17 -171.38 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.281 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 22.0 mt -74.22 158.68 33.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.494 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -66.66 -49.4 66.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.622 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -157.29 -164.55 1.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.346 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 16.4 pt -86.99 9.86 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.802 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -81.06 -73.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.708 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.0 m -45.97 -21.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.013 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.49 -61.48 2.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.716 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 71.3 m -62.65 -24.48 67.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.768 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' B' ' 90' ' ' MET . 8.5 tmm? -64.2 -57.52 9.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.428 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 30.0 tp -49.59 -40.81 40.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.43 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.22 -60.84 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.412 ' OE1' ' OG1' ' A' ' 89' ' ' THR . 8.4 tt0 -49.47 -20.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.07 -177.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.37 -67.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.735 0.303 . . . . 1.0 110.811 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.5 tt -52.02 -15.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.338 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -74.27 -42.03 60.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.437 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -65.54 -18.3 65.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.357 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.54 -72.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.494 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.344 179.022 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.825 0.345 . . . . 1.0 110.447 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -80.92 -18.49 46.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.45 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.8 m -76.61 -67.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.676 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.473 ' N ' HD12 ' A' ' 13' ' ' LEU . 7.8 mp -50.4 -23.2 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 1.0 109.917 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -65.68 -55.73 15.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.403 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.5 ttm105 -66.61 -46.05 77.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.758 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 19' ' ' ILE . 66.0 t -49.8 -16.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.764 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.2 m -91.71 -33.15 15.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.548 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -81.21 -20.46 41.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.156 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.536 HG23 ' N ' ' A' ' 20' ' ' PHE . 18.2 tt -59.35 -45.82 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.841 -0.343 . . . . 1.0 110.446 -179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.536 ' N ' HG23 ' A' ' 19' ' ' ILE . 72.7 m-85 -70.22 -52.34 23.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.356 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -43.54 -35.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.289 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.57 -25.2 67.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.306 -0.407 . . . . 1.0 111.394 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.553 ' N ' HD12 ' A' ' 23' ' ' LEU . 7.0 mp -93.04 20.17 7.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.347 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.68 -55.47 6.6 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -46.71 109.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 1.0 110.77 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -50.0 -42.22 48.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.186 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 24.1 p30 -67.02 -30.3 70.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.356 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.513 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 37.8 ttm180 -72.02 -44.64 63.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.455 -177.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.7 pt -67.53 -24.04 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.642 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -68.96 -29.17 67.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.668 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 mm -65.91 -66.45 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.767 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -43.87 -39.71 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.071 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -53.38 -48.61 68.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.656 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.0 tp -57.49 -49.09 77.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.18 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 35' ' ' LEU . 9.7 mp -63.23 -8.02 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.467 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.525 ' OG ' ' N ' ' A' ' 37' ' ' VAL . 6.5 p -74.33 -61.67 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.428 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.525 ' N ' ' OG ' ' A' ' 36' ' ' SER . 18.1 t -63.81 -40.94 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.392 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 m -159.34 134.57 8.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.19 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.567 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 3.8 mp0 -49.2 175.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.374 . . . . 1.0 110.693 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.3 137.4 12.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.363 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.425 ' O ' ' CD1' ' A' ' 45' ' ' ILE . 90.0 p -84.62 -162.51 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.63 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.1 t -80.66 -64.73 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.61 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.01 -44.45 95.88 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.172 -0.537 . . . . 1.0 111.832 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -48.32 -28.06 2.91 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.758 -0.26 . . . . 1.0 111.45 -177.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' GLN . 86.8 mt -75.65 -34.64 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.885 -0.326 . . . . 1.0 110.932 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -44.43 -39.29 4.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.706 0.288 . . . . 1.0 111.111 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.543 ' ND1' ' N ' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -75.56 -19.85 59.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.919 -178.786 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' ILE . 86.3 mm-40 -77.74 -57.36 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.0 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -86.79 -7.33 58.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.87 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.419 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 1.7 m-20 50.59 79.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.213 -178.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 tp -172.32 -153.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.1 p -84.48 153.31 23.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.808 0.337 . . . . 1.0 110.293 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.625 ' CD ' ' H ' ' A' ' 53' ' ' GLN . 3.5 pm0 -82.31 -17.36 46.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.894 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.9 p -76.55 -25.58 54.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.633 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.576 ' O ' ' NE2' ' A' ' 59' ' ' GLN . 15.7 t-20 -62.3 -44.11 97.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.886 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -77.15 -33.25 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.731 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 p -54.27 -33.81 59.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.415 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 61' ' ' LYS . 29.3 m170 -74.78 -54.13 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.823 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.576 ' NE2' ' O ' ' A' ' 55' ' ' ASN . 0.9 OUTLIER -47.26 -42.33 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.219 -179.067 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.87 -19.48 61.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.552 -0.294 . . . . 1.0 110.772 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' HIS . 78.2 tttt -68.8 -42.41 77.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 1.0 110.347 179.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.4 tt -61.86 -55.12 33.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.202 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 mt -48.98 -34.58 13.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.741 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -58.88 -34.58 71.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.535 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.9 t -71.58 -52.02 20.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.536 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.0 t -67.36 -9.88 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.418 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.463 ' C ' ' N ' ' A' ' 69' ' ' VAL . 47.2 m-70 59.85 10.04 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.973 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.8 tp -47.6 -17.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.98 0.419 . . . . 1.0 110.231 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.463 ' N ' ' C ' ' A' ' 67' ' ' HIS . 33.7 m -147.87 -178.93 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.377 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -130.76 174.02 10.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.209 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.47 159.34 38.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.332 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -137.08 147.04 45.84 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.381 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -90.88 133.6 35.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.492 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -149.33 102.6 3.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.186 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 70.46 -165.77 51.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.458 -1.057 . . . . 1.0 110.458 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.82 14.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 1.0 110.539 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 75' ' ' GLY . 44.6 t -120.6 136.14 54.9 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.373 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.482 ' SD ' ' OH ' ' A' ' 80' ' ' TYR . 16.6 ttt -97.91 99.61 10.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.24 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.4 mm -81.5 152.45 4.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.063 0.459 . . . . 1.0 111.008 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.482 ' OH ' ' SD ' ' A' ' 78' ' ' MET . 70.7 m-85 -133.21 149.67 52.01 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.749 -0.659 . . . . 1.0 109.952 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 m -159.56 -171.35 3.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.515 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.608 ' N ' HD12 ' A' ' 82' ' ' LEU . 8.6 mp -83.66 178.13 8.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.145 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -79.14 -105.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.342 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -107.92 -65.85 1.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.012 0.434 . . . . 1.0 110.256 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.7 tt -170.01 -24.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.573 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -49.4 -34.08 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.602 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 88' ' ' ALA . 33.6 m -77.1 -40.19 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.752 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -59.06 -61.51 2.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.649 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 34.3 m -47.84 -38.3 15.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.794 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.1 ttt -55.54 -42.63 74.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.746 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.5 tp -60.75 -51.3 69.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.436 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -60.78 -61.37 2.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.815 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -39.61 -33.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.701 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.35 -66.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.319 . . . . 1.0 111.076 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.6 mm -54.83 -15.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.755 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 96' ' ' HIS . 23.4 t-160 -76.32 -38.49 55.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.865 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -80.96 -20.13 42.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.9 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.33 -70.69 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.826 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.056 -178.383 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.816 0.341 . . . . 1.0 110.593 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' B' ' 11' ' ' ASP . 5.2 m-20 -78.18 -39.38 40.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.511 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -61.8 -34.37 75.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.568 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' LEU . . . . . 0.567 ' N ' HD12 ' B' ' 13' ' ' LEU . 7.0 mp -70.8 -25.28 62.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.07 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -76.39 -37.5 57.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.722 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 56.8 mtm180 -67.84 -57.04 6.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.914 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 29.5 m -46.28 -35.17 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.706 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 15.0 m -62.74 -39.19 93.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.755 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -63.09 -30.35 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.725 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 mm -71.09 -31.26 44.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.059 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -80.94 -65.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.531 -0.304 . . . . 1.0 111.29 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -48.03 -25.76 1.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.705 -0.398 . . . . 1.0 110.807 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.24 -28.6 69.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.935 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 mt -80.68 0.09 35.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.616 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.44 179.84 0.05 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.85 121.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.84 0.352 . . . . 1.0 110.579 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -67.81 -11.17 57.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.805 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -70.62 -43.54 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.939 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -73.04 -22.58 60.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.948 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 5.9 mm -73.27 -36.64 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.986 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -77.05 -34.61 57.18 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.905 -0.318 . . . . 1.0 110.953 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.38 -25.71 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.301 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 30.6 tpp -74.97 -30.09 61.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.504 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -59.79 -35.46 74.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.487 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.469 ' CD2' ' N ' ' B' ' 34' ' ' LEU . 3.4 mm? -67.0 -55.04 16.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.324 179.33 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.74 -13.49 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.764 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' B' ' 37' ' ' VAL . 11.8 p -81.64 -59.49 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.857 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.485 ' N ' ' OG ' ' B' ' 36' ' ' SER . 32.1 m -67.18 -38.49 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.031 -178.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' SER . . . . . 0.423 ' N ' HG23 ' B' ' 37' ' ' VAL . 28.1 t -169.45 147.73 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.863 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.65 164.31 23.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.614 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.2 153.37 29.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.439 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' SER . . . . . 0.41 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 87.8 p -93.18 169.61 10.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.355 179.249 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 93.6 t -56.19 -55.55 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.965 0.412 . . . . 1.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.1 -37.48 92.89 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.731 -0.747 . . . . 1.0 111.288 -178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.41 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 0.5 OUTLIER -72.94 -39.35 66.29 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.329 0.492 . . . . 1.0 112.329 -175.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 20.9 tt -76.48 -16.06 14.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.469 -0.492 . . . . 1.0 110.968 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.406 ' O ' ' N ' ' B' ' 50' ' ' ASN . 91.0 p -60.48 -28.0 68.01 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.701 -0.4 . . . . 1.0 110.497 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -70.28 -13.5 62.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.482 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -89.56 -54.1 4.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.358 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.593 ' N ' HD22 ' B' ' 49' ' ' LEU . 3.4 mm? -77.34 -37.29 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.043 -0.355 . . . . 1.0 110.043 178.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' B' ' 46' ' ' SER . 44.9 t-20 56.61 67.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.385 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' B' ' 52' ' ' SER . 15.3 tp -174.15 107.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.336 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.43 ' C ' ' O ' ' B' ' 51' ' ' LEU . 41.8 t 5.61 112.71 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.729 1.268 . . . . 1.0 113.934 -177.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -38.76 -38.82 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.657 -0.702 . . . . 1.0 111.641 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 17.3 t -44.08 -32.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.924 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -68.11 -42.83 79.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.843 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 89.8 t -74.31 -40.6 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.969 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 18.7 m -49.25 -35.03 16.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.951 0.405 . . . . 1.0 110.386 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -74.77 -58.15 3.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.875 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -42.4 -57.57 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.386 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.507 ' N ' HD12 ' B' ' 60' ' ' LEU . 7.6 mp -59.74 -22.91 62.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.931 -178.194 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -68.75 -40.76 79.66 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.69 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' LEU . . . . . 0.547 ' N ' HD12 ' B' ' 62' ' ' LEU . 9.9 mp -64.34 -48.11 76.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.486 -0.324 . . . . 1.0 110.196 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 16.1 mt -56.36 -35.55 67.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -55.07 -41.06 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.759 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 25.1 p -63.22 -51.89 64.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.601 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.6 t -66.73 -5.84 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.482 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 27.0 m80 57.37 13.01 1.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.799 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.469 HD13 ' O ' ' B' ' 68' ' ' LEU . 0.2 OUTLIER -56.68 -15.45 4.53 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.459 -0.571 . . . . 1.0 109.459 179.739 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.4 m -153.11 -173.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.893 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -155.95 174.79 14.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 1.0 110.854 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -147.55 169.48 19.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.056 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -148.88 160.28 43.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.917 0.389 . . . . 1.0 110.915 -178.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -91.41 138.46 31.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.894 -0.594 . . . . 1.0 109.646 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -152.91 89.2 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 1.0 110.689 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 69.95 56.6 7.92 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 54.26 7.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.311 . . . . 1.0 110.628 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' SER . . . . . 0.474 ' H ' ' C ' ' B' ' 75' ' ' GLY . 8.5 t -113.68 109.61 18.86 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.428 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.33 137.99 32.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.409 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.8 pt -138.83 160.78 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.077 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -118.11 147.85 42.89 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.918 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 56.5 m -153.41 -177.97 6.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.059 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.416 ' C ' HD12 ' B' ' 82' ' ' LEU . 0.3 OUTLIER -81.1 179.39 7.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.84 0.352 . . . . 1.0 110.507 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.6 -69.24 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.179 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -146.03 -71.54 0.25 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.976 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 pt -155.25 -35.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.451 -0.34 . . . . 1.0 110.405 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -47.82 -47.04 31.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.619 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.46 -46.44 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.649 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.93 -46.43 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.866 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 8.6 m -62.36 -31.3 71.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.571 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 55.1 ttm -61.41 -31.28 71.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.553 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.36 -46.45 76.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.336 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' LYS . . . . . 0.497 ' CD ' ' N ' ' B' ' 92' ' ' LYS . 3.3 mptp? -72.5 -62.57 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.396 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -37.35 -35.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.752 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.77 -66.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.66 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.8 mm -59.74 -10.86 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.58 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -76.43 -47.16 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.935 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -77.73 -12.39 59.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.78 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.15 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.518 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.233 178.842 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.782 0.325 . . . . 1.0 110.864 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.18 -36.39 77.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.993 0.425 . . . . 1.0 110.439 179.355 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' GLU . 70.2 p -72.55 -54.6 8.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.605 -179.887 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.5 tp -39.98 -26.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.084 -179.074 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' THR . 51.5 mt-10 -80.39 -47.17 14.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.56 179.177 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' THR . 49.8 mtm180 -73.89 -21.36 60.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.037 -178.566 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.452 ' O ' HG22 ' A' ' 19' ' ' ILE . 76.8 t -71.87 -28.59 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.903 -178.785 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 17' ' ' THR . 2.2 t -91.48 -31.31 16.02 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.667 0.27 . . . . 1.0 110.957 -179.549 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.53 -15.44 62.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.495 -0.32 . . . . 1.0 111.024 -178.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 20' ' ' PHE . 13.5 tt -68.42 -41.98 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 1.0 110.619 -179.214 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.455 ' N ' HG23 ' A' ' 19' ' ' ILE . 45.0 m-85 -74.6 -55.61 5.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.03 -178.757 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -46.09 -40.64 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.036 -178.496 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.82 -21.48 4.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.852 -178.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -95.83 13.53 26.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.868 -179.147 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.27 70.97 1.81 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -165.82 107.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.752 0.31 . . . . 1.0 110.26 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 27.4 p90 -43.63 -44.93 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.073 -179.266 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.537 ' N ' ' CD2' ' A' ' 26' ' ' TYR . 3.9 t-20 -52.24 -32.58 37.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.953 -179.392 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -75.79 -52.05 11.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.401 -177.556 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.593 ' N ' HD12 ' A' ' 29' ' ' ILE . 1.9 mp -46.2 -40.35 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.895 -0.322 . . . . 1.0 110.501 -177.199 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.523 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 26.9 ttm105 -72.33 -33.11 67.1 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.717 -0.393 . . . . 1.0 111.083 -177.769 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.9 mt -72.65 -39.14 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.368 178.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.461 ' SD ' HD13 ' A' ' 91' ' ' LEU . 9.6 ttt -64.34 -39.06 93.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.701 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.71 -33.98 68.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.993 0.425 . . . . 1.0 110.354 179.509 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 34' ' ' LEU . 2.2 tt -67.7 -65.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.369 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.7 mt -47.36 -16.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.73 -178.892 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 34' ' ' LEU . 5.5 p -69.88 -50.67 40.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.356 . . . . 1.0 110.187 178.906 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.1 t -66.31 -61.58 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.474 179.109 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.6 m -147.0 154.14 40.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.827 -178.8 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.571 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 13.7 mp0 -62.48 168.26 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.702 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.12 144.6 18.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.536 179.534 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 m -81.41 168.71 18.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.254 178.717 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -54.76 -56.81 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.794 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.29 -34.42 87.96 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.698 -0.561 . . . . 1.0 111.698 -177.82 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.523 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 7.1 t-80 -59.44 -26.88 65.57 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.749 -0.381 . . . . 1.0 110.819 -178.181 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.4 mt -74.33 -23.11 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.884 -179.055 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 50' ' ' ASN . 63.6 m -56.63 -11.84 1.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.925 -0.31 . . . . 1.0 111.306 -178.071 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.586 ' ND1' ' N ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -92.77 -17.29 24.35 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.829 0.347 . . . . 1.0 110.785 -178.865 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.586 ' N ' ' ND1' ' A' ' 47' ' ' HIS . 59.5 tt0 -72.67 -56.0 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.03 -178.019 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.445 HD23 HD22 ' A' ' 27' ' ' ASN . 33.2 tp -161.28 -33.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.407 -178.77 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 46' ' ' SER . 4.3 m120 -83.17 168.09 17.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.168 179.012 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.637 HD23 ' H ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -150.63 32.08 0.64 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.098 0.475 . . . . 1.0 110.983 -177.748 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.8 t -149.2 97.59 2.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.346 177.413 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -50.37 -22.04 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.137 -178.74 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -80.29 -37.64 32.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.107 -178.592 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -68.9 -41.72 77.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.246 -177.796 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.3 m -72.78 -31.12 35.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.909 -0.316 . . . . 1.0 110.8 -178.767 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.4 m -58.51 -66.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 1.0 110.437 179.211 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' A' ' 58' ' ' HIS . 2.5 m-70 -45.59 -35.19 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -66.15 -63.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.709 -179.168 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.2 mt -48.67 -24.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.693 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -70.24 -38.02 75.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.686 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.63 -32.94 73.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.163 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.592 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.4 mp -73.41 -24.88 60.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.264 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -62.06 -34.39 76.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.55 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.1 t -69.13 -31.14 69.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.505 179.642 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 t -78.87 3.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 7.7 m80 67.49 10.45 7.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.466 178.005 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.431 ' O ' ' OD2' ' A' ' 83' ' ' ASP . 66.8 mt -75.93 -112.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.431 179.459 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.422 ' H ' HG13 ' A' ' 69' ' ' VAL . 7.9 m -46.56 164.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 1.0 110.898 -179.107 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -151.77 142.07 22.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.008 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.85 141.07 36.28 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.923 0.392 . . . . 1.0 110.851 -178.278 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -102.28 129.4 48.69 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.186 178.296 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -82.23 114.39 20.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.851 -179.655 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 76' ' ' GLN . 92.8 mt-30 -122.75 134.85 54.43 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.182 179.319 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.69 70.61 0.02 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.178 -0.769 . . . . 1.0 111.178 -179.309 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 74' ' ' GLN . 9.2 pt20 174.68 -57.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.492 -0.559 . . . . 1.0 109.492 177.913 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.9 t -154.26 179.46 8.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.799 -179.425 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.2 ptt? -114.2 144.64 42.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.145 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.0 pt -138.94 161.84 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.234 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -122.83 156.5 34.43 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.181 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 42.3 t -158.97 -166.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.503 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.426 ' N ' ' OG ' ' A' ' 81' ' ' SER . 20.6 mt -78.99 162.14 26.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.797 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 68' ' ' LEU . 1.2 m-20 -79.68 -63.22 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.575 179.858 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.497 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 19.7 t0 -165.22 -165.65 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.2 -179.384 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.497 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 26.8 pt -76.83 26.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.3 . . . . 1.0 110.931 -179.255 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.436 ' H ' ' C ' ' A' ' 84' ' ' ASP . 4.8 m80 -111.83 -36.76 5.33 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.863 0.363 . . . . 1.0 110.415 -179.665 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 88' ' ' ALA . 14.9 p -86.54 -36.11 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.802 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.428 ' N ' HG13 ' A' ' 87' ' ' VAL . . . -63.11 -38.57 91.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.857 -178.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.5 p -76.53 -33.49 58.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.696 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 42.9 ttp -69.15 -35.62 76.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.873 -178.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.461 HD13 ' SD ' ' A' ' 32' ' ' MET . 54.8 tp -64.72 -52.45 57.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.3 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.96 -57.0 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.831 -179.22 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -43.42 -27.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.05 -178.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.45 -66.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 1.0 110.681 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.1 mt -57.23 -27.75 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.396 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -55.88 -51.18 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.485 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -51.76 -59.82 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.559 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.72 -56.75 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.691 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 60.9 t30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.711 -179.505 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 75.4 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.9 0.381 . . . . 1.0 110.536 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -66.44 -35.64 80.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.443 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.5 p -76.09 -46.0 31.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.816 -179.307 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 18.0 tp -52.79 -16.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.365 -179.19 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.21 -44.77 12.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.332 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.53 -49.69 76.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.294 -178.399 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 15.1 m -47.11 -20.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.968 -177.844 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 8.6 p -91.31 -39.0 12.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.794 0.331 . . . . 1.0 110.841 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -68.53 -22.65 64.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.669 -176.723 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 pt -73.1 -29.25 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.612 -0.435 . . . . 1.0 110.91 -178.621 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -76.26 -63.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.324 . . . . 1.0 110.851 -179.672 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -49.74 -23.67 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.875 -179.205 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.3 -31.1 42.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.235 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.428 ' C ' HD12 ' B' ' 23' ' ' LEU . 1.7 pp -119.06 39.13 3.62 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.71 0.29 . . . . 1.0 110.937 -178.636 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.49 -72.32 0.78 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.124 -0.79 . . . . 1.0 111.124 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -45.27 140.84 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 1.0 110.825 -179.351 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -66.19 -11.03 47.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.88 -178.769 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -84.08 -44.21 14.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 1.0 111.152 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.405 ' HA ' ' HE ' ' B' ' 28' ' ' ARG . 0.0 OUTLIER -69.59 -29.86 67.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.593 -178.306 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 14.0 tt -79.73 -27.73 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.902 -0.319 . . . . 1.0 111.108 -178.303 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -71.15 -32.9 69.52 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.06 -0.256 . . . . 1.0 111.022 -178.431 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 19.3 pt -74.76 -29.76 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.062 179.252 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 32' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' B' ' 32' ' ' MET . 0.6 OUTLIER -71.8 -40.24 69.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.293 179.041 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -58.48 -35.16 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.806 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 28.7 tp -66.22 -41.88 89.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.475 -179.241 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 36.5 mt -69.15 -9.45 52.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -80.47 -42.43 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.356 . . . . 1.0 110.247 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -81.39 -37.01 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.716 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 74.5 m -168.54 152.25 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.788 -179.559 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.577 ' H ' ' CD ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -70.65 161.58 30.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.785 -179.905 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.19 147.38 20.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.634 -179.719 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.4 m -82.06 165.95 20.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.526 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 46.2 t -54.28 -55.59 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.915 -179.564 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.58 -26.9 67.22 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.057 -0.817 . . . . 1.0 111.057 -179.11 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 44' ' ' HIS . . . . . 0.431 ' O ' ' ND1' ' B' ' 44' ' ' HIS . 62.1 t-80 -72.99 -20.58 61.0 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.057 -0.257 . . . . 1.0 111.053 -178.802 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 93.8 mt -84.69 -27.87 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.6 0.238 . . . . 1.0 110.688 -179.645 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.497 ' O ' ' N ' ' B' ' 50' ' ' ASN . 93.5 p -48.22 -44.36 33.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 1.0 110.864 -179.008 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -57.88 -15.15 7.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.875 -179.147 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -84.0 -49.8 8.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.59 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 71.9 mt -137.29 49.19 2.02 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.499 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' B' ' 46' ' ' SER . 64.1 t30 39.81 -123.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.644 177.848 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mp 48.36 -168.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.651 -0.499 . . . . 1.0 109.651 -178.018 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 63.7 m -151.75 176.23 11.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.01 0.433 . . . . 1.0 111.054 -178.284 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.41 ' O ' ' OG ' ' B' ' 57' ' ' SER . 59.3 tt0 -46.87 -37.09 8.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.604 -0.726 . . . . 1.0 111.3 -178.687 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.0 p -54.86 -54.42 42.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 1.0 111.035 -178.609 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -75.82 -40.15 55.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.141 -178.262 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.79 -42.18 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.363 -177.704 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' B' ' 53' ' ' GLN . 89.9 p -61.68 -29.89 70.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 1.0 110.594 -179.403 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -43.65 32.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.252 179.196 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.25 -47.8 80.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.43 179.038 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.523 ' O ' HD13 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -54.9 -35.47 64.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.327 -179.724 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -58.86 -31.98 69.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.98 -44.3 69.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.538 ' N ' HD12 ' B' ' 63' ' ' LEU . 7.7 mp -61.48 -35.45 77.68 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.103 -0.332 . . . . 1.0 110.103 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -55.44 -46.04 76.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.578 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.3 t -53.0 -47.94 67.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.604 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.439 HG23 ' H ' ' B' ' 66' ' ' VAL . 3.3 t -62.22 -6.12 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.332 179.685 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 67' ' ' HIS . . . . . 0.493 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 56.5 t-80 61.67 14.7 6.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.294 -179.73 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tp -79.11 -13.46 59.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.538 -179.276 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.523 HG12 ' N ' ' B' ' 70' ' ' LYS . 56.1 t -141.9 159.94 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 120.883 0.373 . . . . 1.0 110.75 -178.816 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.523 ' N ' HG12 ' B' ' 69' ' ' VAL . 87.2 tttt -138.51 152.91 48.67 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.123 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.71 119.74 39.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.865 0.364 . . . . 1.0 110.683 -178.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -97.51 119.89 36.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.311 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 63.8 mtt85 -80.0 110.88 15.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.552 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -137.33 93.18 2.78 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.118 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.43 -155.57 53.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.519 -1.032 . . . . 1.0 110.519 -178.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -73.42 -8.18 54.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 1.0 110.631 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 90.3 p -97.37 133.84 41.44 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.764 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 75.4 mtp -97.94 91.04 5.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.258 178.831 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 44.7 mt -82.54 145.05 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.986 0.422 . . . . 1.0 110.888 -178.821 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -120.47 153.78 36.15 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.01 178.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 13.2 m -161.15 -166.54 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.703 -179.722 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 22.2 mt -78.55 166.06 23.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.518 -179.73 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.42 -42.04 17.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.981 -179.42 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 84' ' ' ASP . . . . . 0.478 ' O ' HG23 ' B' ' 85' ' ' ILE . 52.4 m-20 -158.31 -81.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.774 0.321 . . . . 1.0 111.538 -178.358 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.478 HG23 ' O ' ' B' ' 84' ' ' ASP . 18.5 pt -158.51 -34.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.44 -179.669 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -50.67 -31.08 15.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.817 -178.139 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 6.9 t -65.13 -45.65 93.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.741 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.06 -60.4 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.969 -178.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 72.6 p -45.75 -22.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.057 -178.681 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 90' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' B' ' 90' ' ' MET . 1.6 tmt? -74.38 -65.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.749 -178.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.5 tp -49.99 -30.69 11.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.948 -178.854 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -66.58 -69.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.151 -178.429 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -53.45 -17.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.651 -176.854 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.36 -64.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 1.0 110.856 -179.02 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 69.9 mt -56.01 -18.25 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.496 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.92 -35.96 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.852 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -61.59 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.529 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -43.01 -76.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.807 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.45 ' O ' ' ND2' ' B' ' 99' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.306 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.618 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.373 -0.602 . . . . 3.48 109.373 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 10' ' ' THR . 0.5 OUTLIER -53.79 -31.27 48.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 2.3100000000000001 110.626 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -63.29 -43.09 98.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 2.8100000000000001 110.618 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.935 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.3 p -63.15 -51.24 67.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 2.0299999999999998 110.579 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 13' ' ' LEU . 2.9 tp -52.27 -34.52 46.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.9299999999999999 110.594 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.95 -39.72 69.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 2.9199999999999999 110.607 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' C ' ' N ' ' A' ' 17' ' ' THR . 1.7 ttm180 -68.27 -49.69 58.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 3.3199999999999998 110.593 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.935 HG23 ' O ' ' A' ' 12' ' ' THR . 2.6 t -47.14 -16.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 1.3899999999999999 110.574 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.459 ' N ' ' C ' ' A' ' 15' ' ' ARG . 96.1 m -91.34 -36.8 13.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 1.5700000000000001 110.604 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.76 -27.76 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 2.79 110.575 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 3.2 mt -56.35 -64.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 1.55 110.61 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.632 ' O ' ' N ' ' A' ' 23' ' ' LEU . 89.2 m-85 -50.61 -64.26 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 1.71 110.622 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 23' ' ' LEU . 12.8 tttt -37.45 -46.04 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 2.98 110.607 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -56.5 -3.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 1.1899999999999999 110.619 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.676 ' O ' ' O ' ' A' ' 24' ' ' GLY . 30.8 mt -110.42 -8.19 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 1.8200000000000001 110.558 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.676 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -33.86 -107.66 0.0 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.922 -0.871 . . . . 2.1499999999999999 110.922 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.644 ' C ' ' O ' ' A' ' 24' ' ' GLY . 23.8 m-20 -16.3 123.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 2.3399999999999999 110.606 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' ILE . 3.7 p90 -74.36 -34.88 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 4.3799999999999999 110.591 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.655 HD21 ' CD2' ' A' ' 49' ' ' LEU . 56.2 t-20 -41.69 -39.3 1.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 2.3700000000000001 110.61 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.648 ' CZ ' HD21 ' A' ' 63' ' ' LEU . 9.8 ttm180 -74.84 -35.91 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 4.2699999999999996 110.649 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' TYR . 5.1 mm -50.33 -43.5 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 1.79 110.579 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 1.059 HH21 HD11 ' A' ' 49' ' ' LEU . 8.3 ttp180 -63.66 -48.01 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 3.4100000000000001 110.624 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.3 mt -53.96 -35.86 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 1.1499999999999999 110.587 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -36.77 83.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 2.52 110.601 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -64.73 -35.68 81.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 2.2200000000000002 110.617 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.007 ' O ' HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -64.56 -55.69 18.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 1.9399999999999999 110.583 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.55 -35.0 67.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 1.8400000000000001 110.597 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.4 t -54.69 -50.65 67.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 1.6100000000000001 110.617 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.09 -41.25 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 1.46 110.625 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.25 134.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 1.6899999999999999 110.62 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.496 ' H ' ' HG2' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -45.65 169.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 2.5299999999999998 110.554 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -159.79 151.26 19.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.93000000000000005 110.604 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -86.58 172.61 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 1.3799999999999999 110.58 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.3 -65.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.5800000000000001 110.614 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.24 -31.19 62.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.848 -0.901 . . . . 0.95999999999999996 110.848 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -61.46 -43.32 99.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.348 . . . . 2.8999999999999999 110.59 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' SER . 14.3 mt -62.81 -32.14 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 1.8799999999999999 110.604 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 1.167 ' O ' ' CA ' ' A' ' 50' ' ' ASN . 17.5 t -39.14 -36.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 1.8600000000000001 110.641 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 48' ' ' GLN . 1.0 OUTLIER -58.69 -61.58 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 3.6600000000000001 110.628 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -36.19 -72.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 2.6200000000000001 110.645 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.059 HD11 HH21 ' A' ' 30' ' ' ARG . 0.8 OUTLIER -105.0 -17.81 14.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 2.6099999999999999 110.61 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 1.167 ' CA ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER 47.46 169.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 5.2000000000000002 110.554 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 1.056 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 1.2 mp 136.87 -117.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 3.1499999999999999 110.606 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.509 ' H ' ' HB3' ' A' ' 51' ' ' LEU . 39.5 t -121.38 125.72 47.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 2.04 110.561 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -54.2 -35.62 62.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 2.7200000000000002 110.618 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.66 -27.33 62.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 1.9299999999999999 110.571 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -74.14 -41.7 61.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 2.4500000000000002 110.65 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.54 -46.22 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 1.8500000000000001 110.652 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.8 p -53.8 -46.65 71.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 1.52 110.559 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.32 -48.58 73.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 2.5600000000000001 110.568 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.709 ' O ' ' N ' ' A' ' 62' ' ' LEU . 1.1 tt0 -60.98 -69.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 2.5 110.641 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.816 ' CD2' ' CE2' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -35.85 -29.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 1.6599999999999999 110.596 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 59' ' ' GLN . 22.3 tttp -72.0 -30.83 65.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 2.8700000000000001 110.615 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.709 ' N ' ' O ' ' A' ' 59' ' ' GLN . 1.1 tp -73.02 -47.06 48.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 2.2200000000000002 110.584 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.653 ' HB2' HG21 ' A' ' 69' ' ' VAL . 7.9 mt -63.56 -24.54 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 1.4199999999999999 110.587 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -70.75 -23.93 62.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 2.1499999999999999 110.631 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.8 t -78.63 -25.86 45.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 1.8899999999999999 110.639 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.643 ' O ' ' HB2' ' A' ' 67' ' ' HIS . 3.7 t -83.12 -17.95 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 1.6100000000000001 110.567 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.643 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER 80.83 25.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 3.4199999999999999 110.619 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.77 -26.46 17.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 2.0600000000000001 110.608 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -121.51 165.31 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 1.6699999999999999 110.608 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.2 130.43 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 2.79 110.611 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.31 148.17 30.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 1.1599999999999999 110.569 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -133.06 159.0 41.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 3.7000000000000002 110.619 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -98.42 135.87 39.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 4.0800000000000001 110.62 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -149.09 86.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 2.3199999999999998 110.591 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.93 -108.03 2.94 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.848 -0.901 . . . . 1.97 110.848 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -125.76 11.05 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 4.0199999999999996 110.613 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -130.04 131.49 45.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 1.8 110.614 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.534 ' H ' ' HG3' ' A' ' 78' ' ' MET . 0.0 OUTLIER -87.6 117.02 26.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 3.1000000000000001 110.598 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -100.52 142.1 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 1.77 110.623 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.816 ' CE2' ' CD2' ' A' ' 60' ' ' LEU . 24.9 m-85 -106.69 -173.98 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 3.6600000000000001 110.611 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.728 ' HB3' ' O ' ' A' ' 80' ' ' TYR . 0.3 OUTLIER 160.4 160.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 1.3300000000000001 110.599 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 82' ' ' LEU . 1.7 mt -54.33 170.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 2.0499999999999998 110.619 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.658 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 41.1 t0 -89.03 -48.52 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 3.02 110.61 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.658 ' OD1' ' O ' ' A' ' 83' ' ' ASP . 75.0 m-20 -148.94 -151.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 2.4300000000000002 110.568 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.447 ' H ' ' HB3' ' A' ' 84' ' ' ASP . 1.5 pt -103.39 8.74 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 2.2799999999999998 110.595 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -83.19 -39.54 20.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.22 110.607 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -41.5 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 1.76 110.578 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.34 -58.53 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.93000000000000005 110.573 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.528 ' OG1' ' OE1' ' B' ' 93' ' ' GLN . 3.6 p -54.63 -56.02 23.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 1.6899999999999999 110.628 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' THR . 0.8 OUTLIER -38.43 -59.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 2.3799999999999999 110.651 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.644 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 7.0 tp -48.75 -49.07 40.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.77 110.626 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.662 ' O ' ' N ' ' A' ' 94' ' ' ALA . 15.2 mttm -59.78 -76.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 3.0699999999999998 110.63 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.497 ' C ' ' O ' ' A' ' 92' ' ' LYS . 0.6 OUTLIER -31.59 -29.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 2.3700000000000001 110.6 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.662 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -63.0 -57.78 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.72999999999999998 110.572 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 92' ' ' LYS . 2.4 mm -64.3 -23.72 34.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 1.7 110.569 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -70.41 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 2.77 110.624 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -49.47 -42.37 42.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.80000000000000004 110.619 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.85 -46.91 86.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 1.0800000000000001 110.586 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 1.031 ' O ' ' HD2' ' A' ' 101' ' ' PRO . 0.4 OUTLIER -101.95 78.06 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 2.5699999999999998 110.628 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.656 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 0.5 OUTLIER -95.6 40.06 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 2.6499999999999999 110.639 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 1.039 ' O ' ' O ' ' A' ' 102' ' ' LYS . 56.9 Cg_endo -74.12 10.77 1.35 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.817 2.345 . . . . 4.1100000000000003 112.316 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 1.232 ' C ' ' OE1' ' A' ' 103' ' ' GLU . 0.0 OUTLIER 17.92 -165.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 6.96 110.614 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 1.232 ' OE1' ' C ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.009 -0.996 . . . . 8.8000000000000007 110.623 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 29.5 m120 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.408 -0.59 . . . . 3.29 109.408 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 78.1 p -45.06 -30.73 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 2.46 110.574 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -55.22 37.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 2.6400000000000001 110.615 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.562 ' O ' HG23 ' B' ' 16' ' ' VAL . 80.6 p -58.3 -51.18 70.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 2.1200000000000001 110.603 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' B' ' 13' ' ' LEU . 1.0 OUTLIER -45.72 -48.06 15.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 1.8600000000000001 110.608 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.588 ' O ' ' OG1' ' B' ' 17' ' ' THR . 9.0 tt0 -57.6 -39.34 76.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 2.6299999999999999 110.593 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.938 ' O ' ' N ' ' B' ' 17' ' ' THR . 4.0 mtm-85 -64.78 -73.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 3.9500000000000002 110.594 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.576 ' C ' ' O ' ' B' ' 15' ' ' ARG . 0.1 OUTLIER -24.84 -25.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 1.5900000000000001 110.566 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.938 ' N ' ' O ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -82.01 -40.36 22.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 1.6100000000000001 110.595 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.77 ' N ' ' O ' ' B' ' 15' ' ' ARG . 1.5 tt0 -63.93 -26.76 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 2.73 110.572 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.803 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 1.5 mt -59.47 -64.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 1.73 110.618 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.649 ' O ' ' N ' ' B' ' 22' ' ' ALA . 74.0 m-85 -49.75 -74.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 1.5700000000000001 110.586 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -35.53 -23.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 2.8999999999999999 110.633 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.803 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -71.12 -3.86 22.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 1.03 110.574 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.935 ' O ' ' O ' ' B' ' 24' ' ' GLY . 6.2 mt -114.26 -10.29 12.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 1.74 110.601 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.935 ' O ' ' O ' ' B' ' 23' ' ' LEU . . . -18.88 -122.23 0.0 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.883 -0.887 . . . . 1.8899999999999999 110.883 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.782 ' O ' ' O ' ' B' ' 24' ' ' GLY . 70.4 m-20 -12.76 139.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 2.1600000000000001 110.629 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.951 ' N ' ' CD1' ' B' ' 26' ' ' TYR . 0.0 OUTLIER -81.86 -26.33 34.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 4.2699999999999996 110.623 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.664 ' H ' ' HD1' ' B' ' 26' ' ' TYR . 11.9 t30 -46.49 -40.55 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 2.5299999999999998 110.588 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -73.78 -45.07 53.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 3.1499999999999999 110.596 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 6.2 mt -46.51 -33.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 1.46 110.638 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.67 -45.29 53.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 3.0899999999999999 110.607 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 84.1 mt -55.53 -36.86 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 1.0800000000000001 110.585 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' MET . . . . . 0.718 ' HE3' HD23 ' B' ' 68' ' ' LEU . 0.0 OUTLIER -67.94 -44.07 77.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 2.5 110.635 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.622 ' O ' HG23 ' B' ' 37' ' ' VAL . 11.6 tt0 -59.15 -28.27 66.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 2.1099999999999999 110.625 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 1.324 HD12 ' O ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -74.6 -39.33 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 2.04 110.588 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 63.6 mt -71.26 -35.78 71.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 1.47 110.637 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.499 ' HA ' HD11 ' B' ' 82' ' ' LEU . 0.2 OUTLIER -57.59 -47.42 82.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 1.8400000000000001 110.592 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.622 HG23 ' O ' ' B' ' 33' ' ' GLU . 7.0 t -64.54 -42.35 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.6599999999999999 110.585 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.9 t -171.18 138.99 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 1.45 110.606 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.495 ' H ' ' HG2' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -55.5 165.53 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 2.48 110.631 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.83 152.13 22.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.80000000000000004 110.598 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.03 -176.29 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 1.5800000000000001 110.63 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 t -68.43 -55.25 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 1.5 110.602 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.474 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -63.49 -38.93 97.08 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -54.14 -42.11 69.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 3.1200000000000001 110.599 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.585 ' O ' ' N ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -59.27 -36.1 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 2.1499999999999999 110.586 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.768 ' O ' ' HA ' ' B' ' 50' ' ' ASN . 73.0 p -40.69 -34.79 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 1.72 110.612 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -30.03 70.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 3.5 110.638 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 1.012 ' HA ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -64.87 -77.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 3.0099999999999998 110.601 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' B' ' 50' ' ' ASN . 13.9 mt -92.84 -21.7 19.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 2.5299999999999998 110.612 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 1.042 ' O ' ' HG ' ' B' ' 51' ' ' LEU . 27.7 t-20 54.8 130.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 4.54 110.633 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 1.042 ' HG ' ' O ' ' B' ' 50' ' ' ASN . 1.5 mt 166.24 -130.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 2.9199999999999999 110.604 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.58 ' O ' ' HB2' ' B' ' 55' ' ' ASN . 0.4 OUTLIER -106.46 120.41 41.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 2.0099999999999998 110.58 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.404 ' H ' ' HG3' ' B' ' 53' ' ' GLN . 10.3 mt-30 -47.06 -42.1 18.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 2.7400000000000002 110.622 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' B' ' 58' ' ' HIS . 7.2 p -53.4 -29.27 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 1.51 110.597 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.58 ' HB2' ' O ' ' B' ' 52' ' ' SER . 0.9 OUTLIER -68.96 -46.75 67.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 2.3999999999999999 110.589 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 37.8 t -67.73 -50.77 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 1.3100000000000001 110.562 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -27.6 39.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 1.5600000000000001 110.606 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' B' ' 54' ' ' SER . 3.4 t-80 -73.32 -54.07 9.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 3.1000000000000001 110.624 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' B' ' 62' ' ' LEU . 1.0 OUTLIER -63.38 -54.27 39.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 2.1899999999999999 110.603 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.721 ' CD2' ' CE2' ' B' ' 80' ' ' TYR . 11.9 tp -43.81 -21.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.77 110.612 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' B' ' 59' ' ' GLN . 13.7 ttmt -78.6 -35.66 45.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 2.6499999999999999 110.569 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' B' ' 59' ' ' GLN . 17.1 mt -65.05 -46.82 79.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 2.1099999999999999 110.633 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.414 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . 1.5 mt -62.87 -19.21 63.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 1.71 110.591 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -79.05 -21.32 47.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 2.3900000000000001 110.577 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.0 t -73.94 -26.63 60.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 1.5900000000000001 110.592 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.906 ' O ' ' HB2' ' B' ' 67' ' ' HIS . 2.0 t -85.96 -24.76 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 1.72 110.585 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.906 ' HB2' ' O ' ' B' ' 66' ' ' VAL . 44.7 m80 92.61 6.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 3.5 110.569 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.718 HD23 ' HE3' ' B' ' 32' ' ' MET . 0.1 OUTLIER -66.5 -34.93 79.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 2.1600000000000001 110.601 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -116.95 168.33 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 1.6499999999999999 110.597 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -146.84 148.32 31.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 2.9300000000000002 110.573 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.3 153.75 30.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.03 110.566 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -136.62 169.14 18.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 3.1699999999999999 110.626 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 73' ' ' ARG . 24.7 mtt180 -112.44 135.18 53.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 4.0999999999999996 110.627 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.14 82.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 2.2200000000000002 110.645 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' B' ' 76' ' ' GLN . . . 83.28 -86.75 1.49 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.87 -0.892 . . . . 2.0899999999999999 110.87 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' B' ' 75' ' ' GLY . 25.1 mt-30 -148.34 10.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 3.1200000000000001 110.648 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.17 126.42 50.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 1.8999999999999999 110.624 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -82.66 107.81 15.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 2.8100000000000001 110.622 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.63 143.01 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 1.8999999999999999 110.594 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.721 ' CE2' ' CD2' ' B' ' 60' ' ' LEU . 25.5 m-85 -113.71 153.97 28.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 2.9399999999999999 110.57 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.88 172.75 15.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 1.48 110.576 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' B' ' 36' ' ' SER . 15.8 mt -65.44 172.6 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 1.79 110.603 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.21 -42.56 13.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 3.48 110.617 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.47 ' HB3' ' H ' ' B' ' 85' ' ' ILE . 9.3 m-20 -162.93 -146.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 3.0600000000000001 110.592 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.47 ' H ' ' HB3' ' B' ' 84' ' ' ASP . 0.8 OUTLIER -107.35 15.74 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 2.1899999999999999 110.599 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -91.43 -43.67 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 2.02 110.561 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.449 ' H ' HG22 ' B' ' 87' ' ' VAL . 0.0 OUTLIER -64.21 -44.64 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.71 110.586 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.47 -54.45 26.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.89000000000000001 110.588 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -54.94 41.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 1.5600000000000001 110.612 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.3 ttt -42.42 -59.15 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 1.96 110.616 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 5.2 tp -50.5 -44.98 56.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 1.72 110.594 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -61.78 -73.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 2.9700000000000002 110.632 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.528 ' OE1' ' OG1' ' A' ' 89' ' ' THR . 0.4 OUTLIER -33.67 -46.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 2.52 110.609 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -46.86 -64.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.76000000000000001 110.62 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ILE . . . . . 0.44 ' O ' ' CG2' ' B' ' 95' ' ' ILE . 0.9 OUTLIER -62.12 -12.91 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 1.6499999999999999 110.616 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.97 -46.93 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 2.4399999999999999 110.608 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -72.37 -44.16 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 1.01 110.627 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.64 -43.87 72.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 1.4399999999999999 110.595 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.924 ' O ' ' HD3' ' B' ' 101' ' ' PRO . 37.9 t30 -104.17 83.22 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 3.3300000000000001 110.58 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.5 87.73 0.32 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 2.6899999999999999 110.568 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.924 ' HD3' ' O ' ' B' ' 99' ' ' ASN . 56.9 Cg_endo -74.12 72.45 4.05 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.823 2.349 . . . . 4.1500000000000004 112.331 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 1.431 ' O ' ' CG ' ' B' ' 103' ' ' GLU . 0.0 OUTLIER -45.94 -138.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 7.25 110.601 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLU . . . . . 1.431 ' CG ' ' O ' ' B' ' 102' ' ' LYS . 1.4 pt-20 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.029 -0.986 . . . . 7.71 110.64 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.354 -0.61 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.2 p -86.12 -26.17 25.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.581 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.0 -54.22 7.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.464 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -60.69 -23.25 64.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.516 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.4 -65.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.505 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' O ' ' OE1' ' A' ' 18' ' ' GLU . 40.1 mm-40 -51.08 -26.77 6.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.389 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -63.49 -33.12 74.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 1.0 110.36 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.0 t -51.31 -27.3 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.401 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.517 ' O ' ' N ' ' A' ' 19' ' ' ILE . 43.7 p -73.8 -63.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.363 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.567 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 2.2 mp0 -37.54 -25.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.616 -177.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' THR . 58.2 mt -57.9 -49.18 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.395 -0.522 . . . . 1.0 110.358 179.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -68.9 -56.69 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.991 0.424 . . . . 1.0 110.746 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -50.41 -36.48 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.521 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.88 17.0 20.58 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.616 -0.265 . . . . 1.0 111.622 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 23' ' ' LEU . 1.1 tt -75.7 -48.44 21.94 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.479 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.98 151.88 5.83 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -82.15 178.31 8.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 1.0 110.629 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -41.41 -67.97 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.974 -0.557 . . . . 1.0 111.534 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -49.6 -26.68 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.398 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.413 ' NH2' ' CD ' ' A' ' 59' ' ' GLN . 20.5 mmt180 -75.66 -21.24 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.809 -0.356 . . . . 1.0 110.771 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.2 mm -71.55 -36.19 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.376 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.6 ttt85 -64.96 -29.6 70.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.344 . . . . 1.0 110.394 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.4 mt -78.59 -41.73 25.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.493 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.4 ttt -52.25 -32.47 37.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.355 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -71.26 -38.56 71.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.29 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -63.23 -62.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.282 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.0 mt -46.5 -32.5 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.727 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 p -60.37 -33.37 72.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 1.0 110.352 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.8 t -77.71 -38.86 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.776 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -173.49 153.57 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.0 111.037 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.27 164.7 26.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.596 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.4 158.95 36.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.912 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.457 ' OG ' ' CG ' ' A' ' 44' ' ' HIS . 93.3 p -88.41 166.71 14.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.529 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 t -56.3 -55.05 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.977 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.73 -35.03 91.49 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.381 -0.688 . . . . 1.0 111.381 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.457 ' CG ' ' OG ' ' A' ' 41' ' ' SER . 1.4 m80 -73.12 -39.25 65.91 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.69 0.256 . . . . 1.0 111.69 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.85 -13.74 12.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.757 0.313 . . . . 1.0 110.757 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.3 m -54.48 -37.73 65.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.9 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.31 -12.59 61.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.888 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -60.62 -57.47 12.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.334 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tt -173.53 56.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 52' ' ' SER . 7.6 m120 -156.25 -13.85 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.433 -0.348 . . . . 1.0 110.938 -178.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.611 HD22 ' H ' ' A' ' 51' ' ' LEU . 3.0 mm? 41.93 -89.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.849 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 50' ' ' ASN . 90.1 p -55.04 132.77 47.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.404 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -63.28 -47.29 82.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.113 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 p -45.11 -27.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.386 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -68.28 -43.45 77.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.425 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.4 t -74.59 -38.94 46.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.981 -0.288 . . . . 1.0 111.16 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.9 t -59.15 -60.82 3.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.759 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -53.82 -41.31 67.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.901 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.413 ' CD ' ' NH2' ' A' ' 28' ' ' ARG . 38.1 tp60 -67.13 -54.55 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.289 -178.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.5 tp -52.11 -27.09 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.878 -177.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -68.41 -39.67 81.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.613 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.27 -35.65 79.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.63 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.2 mt -74.1 -32.74 63.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -64.98 -21.44 66.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.849 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.456 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 30.8 p -60.42 -60.93 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.767 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.534 ' O ' HG22 ' A' ' 66' ' ' VAL . 3.3 p -69.27 -1.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.647 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 65' ' ' SER . 6.6 m170 66.55 23.26 10.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.782 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 tp -73.38 -13.51 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.856 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.7 t -135.33 155.42 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.927 -0.578 . . . . 1.0 110.179 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.437 ' CB ' ' NZ ' ' A' ' 70' ' ' LYS . 9.2 mtmp? -124.88 172.82 9.06 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.184 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.69 153.16 26.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.506 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.7 pttt -149.12 161.53 41.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.317 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -93.44 135.71 34.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.3 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -153.08 112.98 3.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.489 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.65 58.6 8.95 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.21 -0.756 . . . . 1.0 111.21 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 54.45 12.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.554 0.216 . . . . 1.0 111.285 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.5 t -123.4 133.58 54.07 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.865 0.364 . . . . 1.0 110.418 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.562 ' N ' ' SD ' ' A' ' 78' ' ' MET . 1.9 mpt? -93.25 99.15 11.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.82 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.7 mt -101.57 148.68 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.45 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.487 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 8.6 p90 -146.35 -177.42 5.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.008 0.433 . . . . 1.0 110.899 -178.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.7 p -172.25 -159.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.369 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 83' ' ' ASP . 17.7 mt -86.63 168.13 13.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.81 0.338 . . . . 1.0 110.303 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 26.0 t0 -60.98 -123.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.232 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 2.8 m-20 -86.82 -145.96 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.795 0.331 . . . . 1.0 110.632 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 pt -94.68 6.54 7.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.436 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.437 ' C ' ' N ' ' A' ' 88' ' ' ALA . 20.9 m170 -71.86 -83.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.971 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.4 m -45.98 -18.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.615 -0.266 . . . . 1.0 110.849 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.437 ' N ' ' C ' ' A' ' 86' ' ' HIS . . . -69.32 -62.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.932 0.396 . . . . 1.0 110.715 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.8 m -58.11 -48.77 79.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.515 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.571 ' N ' ' SD ' ' A' ' 90' ' ' MET . 0.0 OUTLIER -53.07 -26.93 17.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.333 179.514 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.481 HD23 ' C ' ' A' ' 91' ' ' LEU . 3.4 tt -59.24 -59.18 5.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.108 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -63.69 -55.51 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.928 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -49.59 -29.73 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.324 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.85 -63.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 1.0 110.73 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.4 tt -59.29 -12.53 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.576 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -80.0 -50.3 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.453 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -62.56 -13.1 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.465 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.43 ' O ' ' OD1' ' A' ' 99' ' ' ASN . . . -75.13 -22.63 58.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.674 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 98' ' ' ALA . 35.8 m-20 -145.11 63.65 1.28 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.098 -0.501 . . . . 1.0 109.922 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.585 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 4.3 t60 -71.44 -36.1 4.41 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.579 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 100' ' ' HIS . 53.6 Cg_exo -53.59 142.01 61.55 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 121.827 1.685 . . . . 1.0 112.076 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 101' ' ' PRO . 18.8 ttpp 57.8 127.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.145 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.05 -0.976 . . . . 1.0 110.545 179.638 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.346 -0.612 . . . . 1.0 109.346 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.1 m -89.65 -65.52 1.01 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.484 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -37.8 -34.59 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.677 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 16.8 p -53.81 -67.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.62 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.584 ' N ' HD12 ' B' ' 13' ' ' LEU . 8.8 mp -67.07 -53.6 29.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.427 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -41.31 -26.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.425 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' B' ' 13' ' ' LEU . 47.9 ttt85 -80.73 -39.96 26.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 1.0 110.454 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' B' ' 13' ' ' LEU . 43.9 t -59.07 -37.51 68.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.572 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.41 ' H ' HG23 ' B' ' 17' ' ' THR . 3.8 p -76.17 -25.14 54.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.434 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -68.81 -17.52 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.314 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 82.5 mt -68.45 -58.03 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.94 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -59.48 -66.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.158 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -45.19 -34.25 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.523 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.428 ' O ' ' NH2' ' B' ' 28' ' ' ARG . . . -63.27 -22.23 66.74 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.088 -0.245 . . . . 1.0 111.188 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 37.3 mt -72.98 2.95 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.285 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.82 -155.99 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 51.39 93.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 1.0 110.489 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -50.24 -63.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.992 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -43.61 -33.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.552 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.428 ' NH2' ' O ' ' B' ' 22' ' ' ALA . 40.4 ttp180 -71.21 -40.99 70.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.337 . . . . 1.0 110.937 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.58 -27.55 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.558 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 mmm-85 -64.36 -27.85 69.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.53 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.661 ' N ' HD12 ' B' ' 31' ' ' ILE . 1.7 mp -73.99 -27.27 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 177.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 12.8 tpt -69.68 -48.6 59.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.633 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.415 ' O ' ' OG ' ' B' ' 36' ' ' SER . 9.1 tm-20 -54.15 -31.58 52.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.519 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' B' ' 36' ' ' SER . 0.9 OUTLIER -67.23 -61.75 1.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.347 -179.586 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 39.1 mt -56.89 -5.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.004 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.438 ' H ' ' C ' ' B' ' 34' ' ' LEU . 9.9 p -81.55 -50.85 8.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.748 0.309 . . . . 1.0 110.632 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 6.5 p -76.3 -29.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.669 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.3 p -178.7 145.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.42 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -57.0 169.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.512 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.37 151.84 25.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.73 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.473 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 26.1 p -90.23 164.16 14.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.42 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -53.45 -57.66 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.001 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.23 -45.58 93.93 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.302 -0.719 . . . . 1.0 111.302 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.473 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 2.6 m-70 -50.98 -40.2 57.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.713 0.292 . . . . 1.0 111.071 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.482 ' C ' ' H ' ' B' ' 47' ' ' HIS . 85.8 mt -69.62 -35.59 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.583 -177.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.424 ' O ' ' O ' ' B' ' 50' ' ' ASN . 44.1 t -53.59 -6.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.98 -0.288 . . . . 1.0 111.601 -176.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.482 ' H ' ' C ' ' B' ' 45' ' ' ILE . 54.0 t-80 -91.87 -10.78 38.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 1.0 110.936 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.401 ' OE1' HD12 ' B' ' 34' ' ' LEU . 22.4 mt-30 -85.03 -58.36 2.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.555 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 97.0 mt -145.76 -39.34 0.24 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.684 0.278 . . . . 1.0 110.483 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' B' ' 46' ' ' SER . 65.0 m-80 -74.82 130.28 39.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.004 -177.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.586 HD12 ' N ' ' B' ' 51' ' ' LEU . 7.1 mp -85.3 -58.97 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.515 -0.55 . . . . 1.0 109.515 178.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 29.8 p -80.37 149.79 30.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.163 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.428 ' N ' ' OE1' ' B' ' 53' ' ' GLN . 2.4 mm100 -77.47 -17.0 58.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.844 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 95.9 p -80.08 -19.3 47.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.869 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 50.6 m-20 -69.38 -47.89 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.977 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.9 p -78.01 -34.43 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.73 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.9 t -57.49 -67.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.371 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -45.58 -43.23 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.634 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -63.56 -38.77 92.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.695 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.46 -31.8 73.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.435 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -65.13 -34.47 78.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.557 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' B' ' 62' ' ' LEU . 31.4 mt -58.61 -41.9 86.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.572 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.65 -30.77 67.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.23 -39.03 85.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.594 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -65.35 -34.3 78.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.608 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.442 ' O ' HG12 ' B' ' 66' ' ' VAL . 26.7 t -77.48 -4.84 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.333 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 59.1 t60 60.84 8.1 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.421 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.52 HD23 ' O ' ' B' ' 68' ' ' LEU . 0.8 OUTLIER -63.63 -13.09 39.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.104 -178.831 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 33.8 m -151.09 176.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.41 . . . . 1.0 110.876 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -136.16 175.09 9.92 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.855 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -141.31 148.31 39.55 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.754 0.311 . . . . 1.0 110.569 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -143.03 149.19 37.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.448 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -90.47 149.98 22.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.042 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -153.0 97.25 2.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 1.0 110.493 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.18 -110.36 3.11 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -111.44 -31.16 7.12 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.852 0.358 . . . . 1.0 110.28 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -83.22 141.53 31.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.762 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 47.1 mtm -90.66 88.86 7.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.223 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -78.44 134.28 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.6 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -115.12 154.33 29.13 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.549 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 59.5 p -156.31 -178.68 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.201 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.513 HD23 ' H ' ' B' ' 82' ' ' LEU . 0.2 OUTLIER -92.25 -175.96 4.2 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 179.489 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -69.81 -94.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.793 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 86' ' ' HIS . 50.7 m-20 -155.32 165.45 36.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.664 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.44 HG23 ' O ' ' B' ' 85' ' ' ILE . 4.1 tp -43.71 88.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.395 0.616 . . . . 1.0 110.953 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' B' ' 84' ' ' ASP . 5.6 t-160 -174.87 -39.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.612 -0.722 . . . . 1.0 109.628 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.495 HG23 ' N ' ' B' ' 88' ' ' ALA . 32.6 m -85.3 -41.04 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.466 -0.788 . . . . 1.0 110.471 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.495 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -66.92 -19.15 65.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.346 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 17.7 m -73.27 -48.31 35.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.372 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 8.6 tpt -63.63 -26.55 68.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.238 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 20.0 tp -62.47 -54.7 36.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.615 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -70.06 -55.6 9.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.103 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -44.11 -25.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 1.0 110.964 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.08 -70.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.906 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.8 tt -54.34 -12.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 1.0 110.42 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -70.82 -46.21 63.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.506 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -65.68 -13.39 59.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.385 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.54 -6.37 48.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.394 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.521 ' O ' ' CG ' ' B' ' 100' ' ' HIS . 77.1 m-20 -160.55 -168.37 2.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.642 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' B' ' 99' ' ' ASN . 96.7 m-70 -158.42 70.24 3.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.274 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' B' ' 100' ' ' HIS . 80.0 Cg_exo -46.72 -178.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.896 2.397 . . . . 1.0 112.424 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -70.63 -135.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.489 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.998 -1.001 . . . . 1.0 110.497 -179.914 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.0 m120 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -46.06 -22.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.657 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -75.91 -56.79 4.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.105 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.0 m -54.67 -31.82 58.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.294 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -52.48 -60.11 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.04 179.697 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -54.05 -23.33 13.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.741 -178.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -76.34 -36.3 58.31 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.653 -0.419 . . . . 1.0 110.378 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.5 t -55.77 -25.41 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.213 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.2 m -73.19 -58.79 3.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.306 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -39.07 -32.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.429 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.3 mt -57.55 -63.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.463 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' LEU . 98.0 m-85 -59.64 -57.29 13.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.701 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -44.96 -36.11 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.937 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.0 -25.21 58.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.41 . . . . 1.0 110.375 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -81.53 -30.56 33.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.868 -0.606 . . . . 1.0 109.824 179.265 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.65 87.36 0.53 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.067 -0.813 . . . . 1.0 111.067 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -161.14 121.92 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.725 0.298 . . . . 1.0 110.344 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -55.68 -33.61 64.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.923 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -74.58 -52.09 12.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.388 -177.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -69.51 -48.96 58.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.754 0.312 . . . . 1.0 111.316 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.422 HG23 ' N ' ' A' ' 30' ' ' ARG . 10.6 tp -46.58 -39.4 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.378 -0.373 . . . . 1.0 110.998 -176.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' N ' HG23 ' A' ' 29' ' ' ILE . 50.1 ttp180 -70.13 -34.34 72.94 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.204 -178.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.434 ' CD1' HE22 ' A' ' 59' ' ' GLN . 98.0 mt -68.05 -44.85 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.65 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.4 mmt -52.63 -33.94 48.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.681 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -72.49 -29.5 63.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.979 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.8 tp -75.61 -57.74 3.7 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.856 -0.337 . . . . 1.0 110.526 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.565 ' N ' HD12 ' A' ' 35' ' ' LEU . 9.5 mp -61.85 -24.17 66.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.293 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 t -63.87 -68.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.43 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -49.63 -39.13 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.416 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.5 m -165.73 134.62 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.662 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.604 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 20.0 mp0 -52.33 167.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.471 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.0 149.05 22.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.8 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.2 p -88.64 167.72 13.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.313 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.6 t -56.98 -56.83 12.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.901 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.28 -30.38 67.54 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.445 -0.662 . . . . 1.0 111.445 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -66.94 -22.24 65.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.724 0.297 . . . . 1.0 110.993 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.3 mt -77.65 -31.35 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.865 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 50' ' ' ASN . 13.5 t -48.17 -41.28 26.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 1.0 110.898 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -61.14 -15.9 38.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.947 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -92.88 -57.62 2.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.094 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.561 ' N ' HD12 ' A' ' 49' ' ' LEU . 9.5 mp -93.4 -33.23 13.93 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.554 -0.294 . . . . 1.0 110.52 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 46' ' ' SER . 69.9 m-80 54.86 87.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.838 0.351 . . . . 1.0 110.274 -178.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -160.22 -167.49 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.342 -178.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -69.42 124.56 24.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.729 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -54.13 -32.15 54.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.76 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.417 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 11.0 t -63.89 -17.65 63.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.756 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -74.59 -42.58 58.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.857 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 t -70.26 -41.95 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.913 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 t -55.61 -37.22 67.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.483 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.484 ' N ' ' ND1' ' A' ' 58' ' ' HIS . 1.8 m-70 -78.84 -34.31 45.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.652 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.434 HE22 ' CD1' ' A' ' 31' ' ' ILE . 34.2 tt0 -70.38 -60.82 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.782 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.3 tp -50.23 -31.74 14.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.665 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -67.08 -36.08 81.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.826 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.3 tp -67.78 -38.34 83.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.665 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.4 mt -64.94 -26.74 68.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.522 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -68.31 -36.84 79.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.677 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.4 m -47.27 -50.03 22.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.741 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -76.93 -1.14 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.521 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 62.25 20.61 11.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.412 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.07 -8.64 51.07 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.608 -0.437 . . . . 1.0 110.172 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 70' ' ' LYS . 30.1 t -137.02 155.46 32.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.353 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.414 ' N ' HG12 ' A' ' 69' ' ' VAL . 31.4 ttmt -152.16 122.75 7.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.252 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.0 169.23 8.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.608 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -149.01 164.36 34.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.221 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -87.83 132.82 34.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.424 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -153.0 108.38 3.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.293 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.28 -146.57 29.2 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.76 -0.936 . . . . 1.0 110.76 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -96.55 13.34 28.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.741 0.305 . . . . 1.0 110.498 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -138.29 163.26 32.25 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.042 0.448 . . . . 1.0 110.858 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' A' ' 78' ' ' MET . 2.1 mpt? -98.96 133.29 43.44 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.104 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 tt -117.17 137.75 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.276 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -102.05 134.93 44.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.662 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.3 t -147.14 173.9 12.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.051 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.771 ' N ' HD22 ' A' ' 82' ' ' LEU . 1.7 mm? -94.11 173.06 7.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.063 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -64.18 -126.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.055 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -82.87 -138.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.673 0.273 . . . . 1.0 110.504 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.7 pt -107.72 -2.97 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.257 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -61.0 -24.38 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.815 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 88' ' ' ALA . 28.9 m -77.38 -38.89 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.626 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -62.27 -59.61 4.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.619 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.4 p -47.15 -55.34 8.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.467 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.6 ttp -53.71 -54.28 40.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.658 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.11 -43.96 74.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.528 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -64.8 -56.96 10.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.598 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -46.48 -24.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.225 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.96 -64.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.789 -0.365 . . . . 1.0 110.727 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.2 tt -60.23 -16.11 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.687 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -74.81 -34.44 62.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.483 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.534 ' HD1' ' CE1' ' A' ' 100' ' ' HIS . 32.8 t60 -83.45 -15.94 47.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.537 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.64 -33.8 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.048 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -156.76 108.11 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 1.0 110.703 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.534 ' CE1' ' HD1' ' A' ' 97' ' ' HIS . 97.7 m-70 -78.16 150.0 76.93 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.003 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -75.83 94.85 1.0 Allowed 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 121.865 1.71 . . . . 1.0 111.922 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -171.83 132.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.477 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.053 -0.975 . . . . 1.0 110.615 -179.927 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.438 ' N ' HD22 ' B' ' 9' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.396 -0.594 . . . . 1.0 109.396 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.402 HG23 ' H ' ' B' ' 10' ' ' THR . 31.6 p -51.97 -12.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.689 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.417 ' N ' ' C ' ' B' ' 9' ' ' ASN . 11.9 t0 -71.49 -59.16 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.909 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 41.6 p -64.93 -56.97 10.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.987 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.506 ' N ' HD12 ' B' ' 13' ' ' LEU . 9.1 mp -44.72 -30.06 0.88 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.76 -178.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -68.08 -54.26 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.49 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' B' ' 18' ' ' GLU . 56.3 ttt85 -67.13 -45.82 75.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.045 -178.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.416 HG12 ' O ' ' B' ' 16' ' ' VAL . 93.5 t -46.69 -15.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.975 -178.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.45 ' N ' ' O ' ' B' ' 15' ' ' ARG . 52.9 m -91.19 -29.15 17.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.82 0.343 . . . . 1.0 110.735 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' B' ' 15' ' ' ARG . 21.5 tt0 -77.93 -27.67 49.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.512 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 pt -62.62 -28.21 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.629 -0.429 . . . . 1.0 110.75 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -79.51 -52.48 7.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.602 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -44.75 -23.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.751 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.69 -32.22 65.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.06 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.591 ' N ' HD12 ' B' ' 23' ' ' LEU . 7.2 mp -84.85 -0.77 55.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 1.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.36 178.38 10.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.093 -0.803 . . . . 1.0 111.093 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 61.68 135.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 1.0 110.877 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -70.21 -12.27 61.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.254 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -69.67 -53.97 16.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 1.0 110.925 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' B' ' 28' ' ' ARG . 7.1 mpt_? -70.14 -28.82 65.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.25 -177.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 98.5 mt -69.78 -34.44 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.281 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -75.8 -36.37 59.75 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.995 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.0 mt -67.08 -25.4 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.368 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 2.4 tpt -76.12 -32.57 59.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.647 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -60.41 -58.11 9.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.323 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.35 -41.05 83.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.143 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.57 -39.88 81.53 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.391 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 52.0 m -59.45 -30.15 68.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.421 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 90.4 t -80.44 -44.8 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.609 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 5.9 m -167.3 131.07 1.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.636 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -47.74 166.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.336 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.12 148.04 21.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 1.0 110.693 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 60.2 m -79.7 168.71 18.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.406 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.582 HG13 ' N ' ' B' ' 43' ' ' GLY . 7.7 p -56.49 -53.21 43.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.884 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.582 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -66.02 -17.28 65.36 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.749 -0.54 . . . . 1.0 111.749 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.34 -24.37 54.24 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.66 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 15.1 mm -70.05 -27.8 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 1.0 110.469 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.48 ' O ' ' N ' ' B' ' 50' ' ' ASN . 8.8 t -56.82 -46.19 81.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.93 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.487 ' N ' ' ND1' ' B' ' 47' ' ' HIS . 1.8 m80 -73.71 -23.66 59.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.429 -0.35 . . . . 1.0 111.127 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -69.13 -8.54 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.185 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.416 ' C ' HD12 ' B' ' 49' ' ' LEU . 0.3 OUTLIER -165.92 17.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.829 -179.636 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' B' ' 50' ' ' ASN . 2.1 p-10 40.71 82.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.39 . . . . 1.0 111.883 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 77.9 mt -148.87 -177.88 6.04 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.438 ' C ' ' N ' ' B' ' 54' ' ' SER . 12.6 t -78.72 121.24 24.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.72 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -48.89 -15.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.738 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.438 ' N ' ' C ' ' B' ' 52' ' ' SER . 98.8 p -81.83 -30.5 32.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.684 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -68.06 -42.71 80.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.965 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.418 HG23 ' N ' ' B' ' 57' ' ' SER . 16.3 m -73.72 -37.15 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.822 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.418 ' N ' HG23 ' B' ' 56' ' ' VAL . 28.2 t -57.36 -37.22 72.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.399 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -74.49 -54.29 7.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.342 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -52.09 -40.73 61.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.7 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.2 tp -59.5 -33.47 71.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.676 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -61.76 -35.03 76.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.763 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.56 ' N ' HD12 ' B' ' 62' ' ' LEU . 10.1 mp -76.11 -38.67 56.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.215 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 11.4 tp -67.13 -38.31 85.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.421 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.464 ' CB ' ' NZ ' ' B' ' 64' ' ' LYS . 2.5 ttmp? -66.91 -35.11 79.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.815 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' B' ' 67' ' ' HIS . 12.6 t -46.94 -61.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.706 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.401 ' O ' HG12 ' B' ' 66' ' ' VAL . 20.5 t -60.45 -4.14 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.314 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' B' ' 65' ' ' SER . 7.2 m80 69.12 19.52 7.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.164 178.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 mt -63.58 -10.87 20.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.081 0.467 . . . . 1.0 109.843 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 30.9 m -149.09 174.67 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.714 -0.676 . . . . 1.0 109.743 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -129.04 166.86 18.42 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.14 0.495 . . . . 1.0 110.675 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -138.86 131.35 28.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.485 -0.78 . . . . 1.0 109.337 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -136.79 153.75 50.73 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.894 0.378 . . . . 1.0 110.418 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.524 ' N ' ' CD ' ' B' ' 73' ' ' ARG . 10.1 mpt_? -90.77 146.19 24.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 1.0 109.982 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -147.07 81.57 1.55 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.84 0.352 . . . . 1.0 110.255 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.83 -83.87 1.51 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -138.29 -29.5 0.82 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.621 0.248 . . . . 1.0 110.573 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 71.2 m -84.37 135.27 34.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.319 . . . . 1.0 110.698 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.439 ' O ' ' CE2' ' B' ' 80' ' ' TYR . 68.7 mtm -87.28 87.97 7.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.408 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -83.6 144.32 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.894 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.439 ' CE2' ' O ' ' B' ' 78' ' ' MET . 10.0 m-85 -120.48 151.91 38.71 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.192 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 37.2 p -148.57 178.02 8.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.879 0.371 . . . . 1.0 110.587 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.15 161.91 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.719 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.49 -67.92 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.669 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -150.98 -171.92 4.06 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.719 ' H ' HD13 ' B' ' 85' ' ' ILE . 0.0 OUTLIER -85.36 94.4 3.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.967 -0.383 . . . . 1.0 109.967 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -173.32 -14.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.66 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.5 m -81.27 -34.49 13.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.022 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.35 -30.46 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.96 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' B' ' 93' ' ' GLN . 52.5 m -82.72 -30.18 29.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.087 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 6.2 tpt -68.37 -43.86 76.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.173 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 27.1 mt -72.54 -54.28 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.41 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.498 ' CD ' ' N ' ' B' ' 92' ' ' LYS . 10.4 mptt -64.71 -13.51 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.667 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' B' ' 89' ' ' THR . 44.6 mm-40 -93.2 -25.37 17.85 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.727 0.298 . . . . 1.0 110.607 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.76 -55.02 14.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.392 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.48 -26.72 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.578 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.426 ' O ' ' ND1' ' B' ' 96' ' ' HIS . 0.7 OUTLIER -61.28 -37.88 84.74 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.686 179.667 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' B' ' 99' ' ' ASN . 11.3 t60 -64.42 -63.8 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.591 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -42.81 -23.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.215 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.523 ' O ' ' ND1' ' B' ' 100' ' ' HIS . 12.5 m120 -81.98 132.03 35.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 1.0 110.916 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.523 ' ND1' ' O ' ' B' ' 99' ' ' ASN . 60.1 m-70 -158.51 60.74 1.83 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.306 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -77.63 -98.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.871 2.381 . . . . 1.0 112.277 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -140.81 47.1 1.75 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.986 -1.006 . . . . 1.0 110.629 179.921 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.4 m -49.21 -33.7 13.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.717 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -64.32 -56.25 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.688 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.9 p -62.6 -53.73 50.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.524 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 tp -45.39 -28.45 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.595 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -66.13 -57.18 8.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.272 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' CB ' ' NH1' ' A' ' 15' ' ' ARG . 29.0 mtm105 -59.34 -38.68 80.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.988 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.3 t -46.92 -43.9 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.806 0.336 . . . . 1.0 110.651 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.6 m -64.4 -35.56 81.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.732 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -60.55 -21.54 62.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.494 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.5 mt -73.7 -30.48 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.056 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -82.95 -68.15 0.73 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.699 0.285 . . . . 1.0 111.16 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -45.58 -36.26 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.217 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.98 -23.09 43.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.413 -0.358 . . . . 1.0 111.115 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 mt -89.59 8.01 33.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.492 -0.322 . . . . 1.0 111.246 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.77 -57.2 21.03 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.169 -0.773 . . . . 1.0 111.169 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -46.67 103.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 1.0 110.741 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -51.12 -18.53 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.442 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -82.45 -35.02 27.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.94 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -74.44 -34.89 63.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.225 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.4 tp -72.61 -32.17 40.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.819 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -71.89 -32.49 67.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.741 0.305 . . . . 1.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.5 mt -69.62 -24.77 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.091 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.7 ttm -74.73 -38.21 62.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.171 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -54.6 -31.06 56.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.524 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -68.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.644 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.55 ' N ' HD12 ' A' ' 35' ' ' LEU . 9.8 mp -54.76 -12.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.848 -0.341 . . . . 1.0 110.242 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.7 m -75.86 -49.72 17.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.593 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 p -79.29 -24.79 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.574 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 p -170.74 121.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 1.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -46.34 168.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.494 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.48 151.13 24.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.855 0.359 . . . . 1.0 110.887 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.0 m -84.86 -175.23 5.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.681 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.52 -60.81 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.847 -0.615 . . . . 1.0 111.254 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.6 -19.26 76.3 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 120.851 -0.69 . . . . 1.0 111.973 -175.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -74.88 -33.2 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 122.554 -0.38 . . . . 1.0 111.936 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.7 pt -77.01 -16.78 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.527 -0.469 . . . . 1.0 110.968 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.1 m -55.54 -16.59 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.694 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -81.12 -17.67 49.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.381 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -81.79 -58.18 3.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.981 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 50' ' ' ASN . 7.1 tp -172.72 -19.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.874 -0.33 . . . . 1.0 111.101 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 49' ' ' LEU . 25.5 m-80 -60.84 -127.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.739 -0.385 . . . . 1.0 110.739 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.47 ' C ' HD23 ' A' ' 51' ' ' LEU . 3.0 tt -165.4 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.611 -0.435 . . . . 1.0 110.821 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 t -154.61 -148.08 0.23 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.822 0.344 . . . . 1.0 110.908 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -78.36 -53.52 7.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.352 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.9 t -45.35 -50.6 12.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.275 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -72.82 -49.53 29.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.576 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.0 t -63.52 -33.1 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.005 -177.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.2 p -59.72 -44.71 93.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.087 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -25.21 64.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.119 -178.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -80.01 -69.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 1.0 111.251 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.7 mt -45.79 -24.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.931 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -72.61 -43.76 62.89 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.776 -0.369 . . . . 1.0 110.312 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 tp -64.22 -50.39 68.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.911 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.98 -24.92 66.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 1.0 111.14 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -62.83 -40.35 97.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.762 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.7 m -71.1 -22.47 62.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.891 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.46 ' O ' ' CB ' ' A' ' 67' ' ' HIS . 24.1 t -75.01 -0.96 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.575 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.46 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 12.7 t-80 86.44 2.0 0.54 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.747 179.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.7 mt -111.23 157.47 20.07 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.262 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 t 66.84 133.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.82 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -144.23 149.16 35.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.046 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.71 122.97 45.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.861 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -96.04 129.65 43.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.19 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -85.45 105.2 15.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.753 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -128.23 83.43 2.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.35 -0.386 . . . . 1.0 109.999 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.3 -167.9 35.23 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.503 -1.039 . . . . 1.0 110.503 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -56.57 -15.48 4.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 1.0 110.353 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.4 t -92.24 116.36 28.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.949 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -100.31 143.66 30.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.092 -0.504 . . . . 1.0 109.786 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.6 pt -139.87 162.1 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.796 0.331 . . . . 1.0 110.621 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -125.22 151.45 45.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.085 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.8 p -174.45 110.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.446 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.578 HD23 ' H ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -67.83 -107.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 178.722 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.5 t0 45.0 89.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.139 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -102.21 18.94 19.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.24 -0.436 . . . . 1.0 109.83 177.303 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.521 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 9.0 mm 63.94 45.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.768 -0.651 . . . . 1.0 109.589 -176.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 24.4 m80 -163.46 -24.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.825 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.2 -36.74 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.067 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.79 -42.5 81.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.456 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.419 ' O ' ' OE1' ' A' ' 93' ' ' GLN . 17.9 p -59.47 -58.97 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.289 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.5 ttt -46.17 -43.78 15.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.402 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -63.57 -35.74 81.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.302 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 94' ' ' ALA . 16.4 ttmm -69.73 -63.63 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.419 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.517 ' CD ' ' H ' ' A' ' 93' ' ' GLN . 1.2 mp0 -42.53 -18.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.989 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -76.16 -53.03 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 1.0 110.415 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.2 mm -53.34 -21.82 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.566 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -75.61 -50.71 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.543 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -62.31 -33.72 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.11 -59.13 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.063 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -91.12 97.03 10.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.419 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -159.82 57.28 0.97 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.738 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -75.77 -44.04 0.31 Allowed 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.638 2.225 . . . . 1.0 111.904 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -163.96 -179.92 6.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.609 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 1.4 pm0 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.571 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.7 t -85.6 -23.46 27.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.582 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -82.11 -48.22 11.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.403 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.6 p -59.09 -29.66 67.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.473 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.426 HD13 ' C ' ' B' ' 13' ' ' LEU . 0.3 OUTLIER -65.2 -67.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.267 -179.478 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -43.39 -25.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.595 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -73.06 -36.94 66.97 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.854 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.53 ' O ' ' CE2' ' B' ' 20' ' ' PHE . 27.2 t -64.12 -24.19 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.319 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 29.1 m -91.69 -38.26 12.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.708 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' B' ' 22' ' ' ALA . 57.3 tt0 -63.14 -13.35 35.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.797 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 7.8 pt -81.4 -33.82 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.888 -0.325 . . . . 1.0 110.946 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' B' ' 16' ' ' VAL . 6.2 m-85 -76.16 -67.09 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.598 -0.441 . . . . 1.0 111.024 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -51.42 -39.83 58.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.288 -177.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' B' ' 18' ' ' GLU . . . -49.98 -19.61 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.551 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.9 mt -106.8 50.4 0.77 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.78 -71.59 1.18 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.523 ' OD2' ' NH1' ' B' ' 28' ' ' ARG . 57.6 t0 -44.15 131.63 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 1.0 111.15 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -65.68 -10.94 40.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.0 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -67.02 -43.88 81.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.298 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.523 ' NH1' ' OD2' ' B' ' 25' ' ' ASP . 7.9 mpt_? -73.12 -26.71 61.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.574 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 31.3 mm -67.61 -39.41 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.763 -0.375 . . . . 1.0 110.863 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -71.94 -32.95 67.82 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.793 -0.363 . . . . 1.0 110.688 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.43 -56.93 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.471 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 65.4 mtp -49.14 -39.54 29.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.496 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.84 -31.83 73.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.796 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.462 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.3 OUTLIER -70.47 -57.33 4.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.053 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.533 ' N ' HD12 ' B' ' 35' ' ' LEU . 10.2 mp -56.34 -16.8 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.527 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.3 m -69.97 -42.23 73.43 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.651 -0.419 . . . . 1.0 110.212 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 t -77.28 -40.36 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.566 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 45.9 t -164.84 135.65 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.515 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -53.87 169.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.14 148.83 22.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.873 0.368 . . . . 1.0 110.832 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 50.6 m -80.5 164.78 22.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.219 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.616 HG13 ' N ' ' B' ' 43' ' ' GLY . 10.5 p -52.65 -52.37 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.633 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.616 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -69.19 -36.63 80.1 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 121.105 -0.569 . . . . 1.0 111.687 -177.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.8 -28.46 66.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.714 0.292 . . . . 1.0 111.122 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.8 mt -74.73 -19.14 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.725 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 23.7 p -56.62 -49.1 75.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 1.0 110.906 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -60.19 -11.85 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.023 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -77.43 -55.39 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.928 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.4 mt -132.82 42.54 3.06 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.372 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 61.68 -130.29 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.549 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 22.8 mt 57.61 -178.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.784 0.326 . . . . 1.0 110.515 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.1 m -121.34 175.85 5.94 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.573 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -66.53 -34.12 77.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.729 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 59.6 p -71.06 -44.54 65.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.594 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -58.92 -44.12 91.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.727 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 92.3 t -68.59 -30.56 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.753 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 22.7 p -59.02 -34.73 72.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.58 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -36.27 59.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.102 -178.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -68.21 -66.21 0.6 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.996 -178.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 43.1 mt -48.59 -25.38 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.942 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -70.66 -40.96 72.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 1.0 110.344 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.447 HD23 ' O ' ' B' ' 62' ' ' LEU . 3.2 tt -57.22 -56.02 27.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.052 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.545 ' N ' HD12 ' B' ' 63' ' ' LEU . 8.4 mp -58.09 -26.91 63.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.308 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -73.52 -10.65 59.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.433 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -81.51 -50.2 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.689 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.852 HG13 ' H ' ' B' ' 67' ' ' HIS . 5.6 p -64.72 -70.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.575 -0.45 . . . . 1.0 111.565 -175.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.852 ' H ' HG13 ' B' ' 66' ' ' VAL . 29.0 t-80 -176.85 0.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.108 -0.237 . . . . 1.0 111.475 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.426 ' H ' ' H ' ' B' ' 67' ' ' HIS . 10.4 mp -103.51 152.69 21.39 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.74 -0.467 . . . . 1.0 109.74 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.1 t 63.62 146.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.067 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -151.4 140.81 21.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.749 -0.66 . . . . 1.0 109.867 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.66 142.0 34.54 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.99 0.424 . . . . 1.0 110.791 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -146.42 113.54 6.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.731 178.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -60.66 151.43 29.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.372 -174.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -152.91 96.69 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.517 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 63.42 48.44 78.5 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 70.75 -22.29 0.18 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.552 0.215 . . . . 1.0 111.154 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.495 ' H ' ' C ' ' B' ' 75' ' ' GLY . 14.8 m -84.14 119.84 25.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.8 0.333 . . . . 1.0 110.591 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -83.37 124.49 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.598 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.442 HG22 ' N ' ' B' ' 80' ' ' TYR . 85.9 mt -129.42 155.51 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.21 -179.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.484 ' CD1' ' N ' ' B' ' 80' ' ' TYR . 5.2 m-85 -127.59 159.56 34.27 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.419 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 66.6 m -159.96 -167.94 2.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.796 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.31 150.19 47.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.745 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -81.38 -21.54 38.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.384 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.505 ' OD2' ' ND1' ' B' ' 86' ' ' HIS . 26.7 t70 -172.03 178.17 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.127 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.466 ' O ' ' HB3' ' B' ' 88' ' ' ALA . 34.5 mt -78.99 -27.33 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 1.0 110.817 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.505 ' ND1' ' OD2' ' B' ' 84' ' ' ASP . 41.5 m80 -52.46 -65.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.009 -178.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 7.6 p -45.42 -29.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.098 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 85' ' ' ILE . . . -62.77 -59.09 5.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.359 . . . . 1.0 110.59 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.421 ' O ' ' OE1' ' B' ' 93' ' ' GLN . 71.8 p -62.55 -29.67 70.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.586 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 15.2 ttt -48.6 -54.67 13.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.795 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 25.8 mt -68.25 -23.95 64.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.933 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -67.69 -70.22 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.593 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.474 ' H ' ' CD ' ' B' ' 93' ' ' GLN . 7.5 mp0 -53.43 -12.11 0.4 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.948 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.0 -46.45 57.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.402 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 77.2 mt -72.67 -14.36 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.809 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.58 -51.18 53.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.764 -0.374 . . . . 1.0 110.299 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -63.14 -22.97 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.383 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.62 87.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.666 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -77.93 -109.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.454 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 54.18 72.04 1.21 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 1.0 110.779 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.47 -61.95 0.52 Allowed 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.649 2.233 . . . . 1.0 112.112 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -166.23 88.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.457 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 117.969 -1.015 . . . . 1.0 110.555 -179.776 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.1 t30 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.6 m -87.22 -36.44 17.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.584 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -76.0 -24.5 55.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.526 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.8 p -76.26 -65.86 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.587 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.4 tp -46.2 -24.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.341 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -73.39 -55.31 6.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.478 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.43 ' C ' ' N ' ' A' ' 17' ' ' THR . 27.4 ttp180 -50.99 -35.19 32.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.882 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.6 t -46.15 -18.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.712 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.43 ' N ' ' C ' ' A' ' 15' ' ' ARG . 84.6 m -88.0 -37.08 16.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.703 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' ARG . 77.2 mt-10 -67.89 -34.52 76.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.531 -177.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.9 pt -60.66 -27.47 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.85 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -77.72 -46.72 20.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.487 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -50.94 -20.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 1.0 110.466 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.2 -38.07 84.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.174 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 23' ' ' LEU . 9.5 mp -72.6 -11.47 60.66 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 177.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.11 -24.11 0.51 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.939 -0.865 . . . . 1.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -79.0 143.28 35.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 1.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' ARG . 51.6 t80 -87.59 -71.6 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.235 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -45.2 -13.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.511 -177.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -75.18 -42.87 54.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.749 0.309 . . . . 1.0 110.389 -179.014 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 tp -56.89 -41.26 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.876 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -67.08 -32.68 74.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.033 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.6 mt -74.54 -35.12 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.651 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.6 ttt -62.05 -39.53 92.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.711 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' C ' ' N ' ' A' ' 35' ' ' LEU . 62.3 mm-40 -59.02 -68.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.146 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -52.1 -11.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.193 -177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 35' ' ' LEU . 1.4 tt -79.93 -59.5 2.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.055 0.455 . . . . 1.0 109.994 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.5 t -47.73 -39.21 17.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.586 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.29 -36.85 71.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.418 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 35' ' ' LEU . 82.7 p -169.86 157.63 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.558 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -59.53 166.25 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.085 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.33 126.49 5.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 1.0 110.82 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t -77.12 -159.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.404 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -68.32 -63.75 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.402 . . . . 1.0 110.595 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.16 -35.63 88.32 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.17 -0.772 . . . . 1.0 111.17 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -49.73 -28.17 5.76 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 122.771 -0.252 . . . . 1.0 111.268 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 92.9 mt -74.06 -55.2 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.839 -0.344 . . . . 1.0 110.863 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.415 ' O ' ' OD1' ' A' ' 50' ' ' ASN . 99.0 p -69.75 -3.82 17.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.37 . . . . 1.0 110.353 178.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -35.3 -48.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.642 -0.708 . . . . 1.0 112.599 -175.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -97.05 -45.33 6.61 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.847 0.356 . . . . 1.0 110.782 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.2 mt -57.42 -58.21 9.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.741 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 46' ' ' SER . 1.6 m120 56.06 92.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.647 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -143.71 -65.67 0.37 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.216 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.3 m -155.19 121.2 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.624 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -74.34 -34.94 63.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.654 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.5 m -59.17 -26.14 64.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.355 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -76.69 -40.23 49.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.462 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.3 -40.95 82.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.484 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -62.17 -34.11 75.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.361 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -73.72 -64.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.705 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -49.97 -50.2 47.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.745 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.1 tp -49.11 -37.47 21.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.664 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -69.94 -35.59 74.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.678 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.75 -38.64 85.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.473 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.49 -21.01 65.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.763 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -72.27 -21.5 61.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.278 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 67' ' ' HIS . 83.8 p -72.01 -59.55 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.668 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 66' ' ' VAL . 3.1 t -59.18 -6.55 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.926 0.393 . . . . 1.0 110.125 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.414 ' H ' ' C ' ' A' ' 65' ' ' SER . 0.8 OUTLIER 66.69 10.54 7.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.742 177.263 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.86 -9.28 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.423 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.555 HG12 ' N ' ' A' ' 70' ' ' LYS . 63.9 t -142.56 162.4 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.664 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.555 ' N ' HG12 ' A' ' 69' ' ' VAL . 31.4 ttmt -142.71 135.01 27.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.152 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.53 156.81 19.68 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.632 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -139.82 156.04 46.94 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.006 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -88.88 140.62 29.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.81 0.338 . . . . 1.0 110.704 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -153.24 99.78 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.104 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.19 -132.56 13.61 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.472 -1.051 . . . . 1.0 110.472 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -102.03 24.65 9.76 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.028 0.442 . . . . 1.0 109.933 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.0 p -150.68 168.75 23.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.521 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.6 ptp -115.57 143.9 44.66 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.539 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.2 mm -116.15 127.28 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.194 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -92.8 138.14 31.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.043 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.3 m -154.51 -176.38 5.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.919 0.39 . . . . 1.0 110.787 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.95 143.77 57.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.78 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -79.93 -17.17 53.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.381 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 37.2 t0 -172.21 168.0 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.52 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.406 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 21.1 pt -75.59 -10.19 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.795 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -68.92 -29.62 67.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.797 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.4 t -61.87 -46.71 95.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.122 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.78 -35.58 61.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.994 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.9 m -78.2 -62.82 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.944 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' A' ' 90' ' ' MET . 2.1 tmt? -43.35 -39.04 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.974 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.6 tp -61.33 -68.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.602 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -58.1 -47.2 83.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.785 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -49.11 -22.03 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.413 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.64 -52.68 8.09 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.696 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.655 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.9 mp -58.66 -13.04 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.88 -0.415 . . . . 1.0 109.88 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' A' ' 99' ' ' ASN . 1.4 m-70 -76.09 -54.61 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.758 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -57.66 -30.93 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.789 -0.364 . . . . 1.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.41 -49.32 72.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.788 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.431 ' O ' ' O ' ' A' ' 96' ' ' HIS . 13.4 p30 -158.47 177.68 10.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.553 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -146.83 77.01 11.36 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.374 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -45.7 -47.16 14.08 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.592 2.195 . . . . 1.0 112.474 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -167.17 6.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.773 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.954 -1.022 . . . . 1.0 110.626 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.1 t -60.2 -24.52 64.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.611 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -56.8 -52.86 63.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.647 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 65.3 p -60.01 -50.17 74.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.491 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 38.0 tp -43.41 -30.01 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.825 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -73.84 -57.23 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.853 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' B' ' 17' ' ' THR . 45.5 mtp180 -49.99 -47.8 52.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.745 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.411 ' O ' HG12 ' B' ' 16' ' ' VAL . 85.7 t -44.33 -16.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.888 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.51 ' N ' ' O ' ' B' ' 15' ' ' ARG . 8.2 m -84.53 -45.53 12.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.379 -178.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -15.13 63.48 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.59 -177.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 46.2 mm -58.77 -52.44 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.383 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -64.62 -53.3 49.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.637 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.461 ' C ' ' H ' ' B' ' 23' ' ' LEU . 85.7 tttt -49.88 -42.4 47.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.506 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.28 16.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.535 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.481 HD13 ' O ' ' B' ' 23' ' ' LEU . 0.2 OUTLIER -130.31 -14.38 3.8 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 -178.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.56 93.96 0.22 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.137 -0.785 . . . . 1.0 111.137 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.534 ' CB ' HH11 ' B' ' 28' ' ' ARG . 26.4 t70 -170.3 164.57 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.159 -0.311 . . . . 1.0 110.159 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 34.5 m-85 -88.77 -52.23 5.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.106 0.479 . . . . 1.0 111.068 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -60.84 -25.61 66.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.709 -0.678 . . . . 1.0 111.56 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.534 HH11 ' CB ' ' B' ' 25' ' ' ASP . 75.5 mtt85 -75.47 -16.12 60.35 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.738 -0.385 . . . . 1.0 110.744 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 mm -77.11 -47.12 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.731 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -76.09 -37.56 58.04 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.819 -0.352 . . . . 1.0 111.206 -178.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 93.2 mt -64.67 -59.2 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.336 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 25.1 ttt -48.56 -35.48 13.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.712 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.96 -50.32 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.552 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.479 HD23 ' O ' ' B' ' 34' ' ' LEU . 1.8 tt -46.94 -56.67 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.195 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 30.5 mt -43.51 -49.8 7.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.016 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.0 m -54.29 -40.98 68.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.878 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -70.13 -54.12 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 1.0 110.824 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 92.1 p -162.42 151.03 14.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.486 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -56.72 170.51 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.435 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.51 174.43 12.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.108 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.422 ' H ' ' HB3' ' B' ' 44' ' ' HIS . 57.8 p -121.42 -173.15 2.56 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.811 -0.44 . . . . 1.0 109.811 178.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.624 HG13 ' N ' ' B' ' 43' ' ' GLY . 7.3 p -62.97 -56.72 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.747 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.624 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -74.18 -37.99 47.75 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 121.205 -0.521 . . . . 1.0 112.177 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.422 ' HB3' ' H ' ' B' ' 41' ' ' SER . 57.2 t-80 -51.11 -24.84 4.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.969 0.385 . . . . 1.0 110.942 -177.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.57 HG22 ' O ' ' B' ' 42' ' ' VAL . 10.1 tp -61.31 -16.23 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.125 0.488 . . . . 1.0 110.129 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.529 ' O ' ' N ' ' B' ' 50' ' ' ASN . 58.7 p -64.15 -59.44 4.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.68 -0.691 . . . . 1.0 111.014 -178.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -40.7 -22.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.092 0.472 . . . . 1.0 110.71 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' B' ' 46' ' ' SER . 52.1 tp60 -92.18 -44.78 8.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.518 -0.765 . . . . 1.0 110.026 177.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' B' ' 46' ' ' SER . 21.5 mt -141.47 63.41 1.43 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.196 -0.457 . . . . 1.0 109.962 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' B' ' 46' ' ' SER . 54.6 t-20 -58.49 81.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.785 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' B' ' 49' ' ' LEU . 27.1 mt -133.85 -171.99 2.87 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.164 -0.471 . . . . 1.0 109.9 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 58.4 m -49.05 110.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.528 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -46.16 -38.77 8.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.794 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 27.7 m -48.59 -28.27 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.607 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -67.96 -24.74 65.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.077 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 94.5 t -73.44 -50.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 1.0 110.774 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 11.7 t -51.41 -40.1 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.614 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -64.56 -48.93 73.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.985 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -58.06 -69.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.869 0.366 . . . . 1.0 111.184 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' B' ' 60' ' ' LEU . 48.0 mt -40.92 -27.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.222 -178.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -68.99 -43.47 74.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.237 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 mt -73.71 -57.52 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.301 . . . . 1.0 111.162 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.575 ' N ' HD12 ' B' ' 63' ' ' LEU . 9.9 mp -45.79 -41.08 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.359 . . . . 1.0 110.424 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.63 -31.67 69.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.799 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.501 ' OG ' ' N ' ' B' ' 66' ' ' VAL . 19.4 p -48.7 -61.06 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.688 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.501 ' N ' ' OG ' ' B' ' 65' ' ' SER . 6.7 m -75.63 2.4 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.735 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 48.1 m80 57.17 33.93 24.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.808 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -76.25 -10.99 59.83 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.805 -0.813 . . . . 1.0 108.805 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.417 HG12 ' N ' ' B' ' 70' ' ' LYS . 52.3 t -135.76 155.33 35.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.835 -0.62 . . . . 1.0 109.837 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.417 ' N ' HG12 ' B' ' 69' ' ' VAL . 46.2 mmtt -133.52 127.23 32.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.981 0.42 . . . . 1.0 110.198 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.58 138.27 39.71 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.047 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -130.5 149.62 52.08 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.168 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -93.64 136.05 34.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.145 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -143.16 87.56 1.97 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.457 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.1 -65.45 2.64 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -158.35 -23.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.6 0.238 . . . . 1.0 110.837 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 34.3 t -89.01 130.69 35.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.75 0.31 . . . . 1.0 110.765 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.488 ' O ' ' CE2' ' B' ' 80' ' ' TYR . 60.3 mmm -87.27 99.44 11.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.279 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 13.9 mm -81.17 149.53 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.991 0.424 . . . . 1.0 111.045 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.488 ' CE2' ' O ' ' B' ' 78' ' ' MET . 55.9 m-85 -130.07 141.73 50.68 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.905 -0.588 . . . . 1.0 109.835 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' B' ' 82' ' ' LEU . 41.7 t -158.29 -168.34 2.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.038 0.446 . . . . 1.0 110.966 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.437 ' N ' ' OG ' ' B' ' 81' ' ' SER . 18.1 mt -68.4 147.96 51.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.792 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' B' ' 83' ' ' ASP . 5.0 t70 -83.83 -23.02 31.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.441 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -168.02 150.17 5.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.33 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 17.0 mm -59.98 -21.37 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.638 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -70.17 -15.35 62.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.693 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 59.4 t -75.78 -43.65 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.709 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.73 -54.24 47.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.754 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 10.0 m -55.13 -45.33 75.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.749 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' MET . . . . . 0.437 ' C ' ' SD ' ' B' ' 90' ' ' MET . 1.8 tmt? -53.56 -44.95 69.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.741 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.7 tp -59.7 -44.65 93.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.819 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.479 ' CB ' ' NZ ' ' B' ' 92' ' ' LYS . 8.1 mtpm? -67.33 -56.66 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.995 -178.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -51.72 -20.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.238 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.12 -68.11 0.72 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.834 0.349 . . . . 1.0 110.814 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 73.8 mt -50.84 -21.55 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.705 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 -75.97 -39.81 55.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.882 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -77.69 -13.96 59.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.528 -0.306 . . . . 1.0 110.874 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.94 -52.94 3.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.758 0.313 . . . . 1.0 111.204 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.438 ' O ' ' O ' ' B' ' 100' ' ' HIS . 9.1 t-20 -160.33 9.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.672 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.438 ' O ' ' O ' ' B' ' 99' ' ' ASN . 91.7 m-70 57.19 150.35 0.06 OUTLIER Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.573 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' B' ' 102' ' ' LYS . 96.4 Cg_endo -75.07 -48.19 0.18 Allowed 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.75 1.633 . . . . 1.0 111.831 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' B' ' 101' ' ' PRO . 63.3 tttm 49.68 101.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.736 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.003 -0.998 . . . . 1.0 110.663 179.513 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.677 ' N ' HD21 ' A' ' 9' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.392 -0.596 . . . . 1.0 109.392 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 12' ' ' THR . 68.4 p -89.86 -64.94 1.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.257 178.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.402 ' N ' ' OG1' ' A' ' 10' ' ' THR . 34.8 t70 -33.64 -27.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.534 -0.757 . . . . 1.0 112.252 -176.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' THR . 18.6 p -69.72 -71.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.562 -0.29 . . . . 1.0 111.058 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.571 ' N ' HD12 ' A' ' 13' ' ' LEU . 9.7 mp -68.03 -9.26 44.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.076 -177.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -79.78 -35.96 37.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.742 0.306 . . . . 1.0 110.844 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -81.51 -39.15 25.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.552 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.2 t -57.01 -39.15 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.368 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 19' ' ' ILE . 36.7 m -63.19 -61.8 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.334 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -36.4 -29.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.829 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' THR . 83.6 mt -54.92 -53.41 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.445 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' LEU . 14.9 m-85 -75.83 -61.06 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.874 -179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -43.32 -45.75 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.157 -178.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.93 -24.24 66.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.88 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' PHE . 6.3 tp -83.13 29.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.362 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.49 82.31 1.68 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -161.98 146.12 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.699 0.285 . . . . 1.0 110.306 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -87.75 -67.45 0.82 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.061 0.457 . . . . 1.0 110.83 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -52.57 -15.45 0.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.109 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -76.77 -30.31 56.45 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.898 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.3 mm -72.57 -37.03 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.859 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.487 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 48.8 ttt85 -71.6 -31.0 66.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.749 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.1 mt -73.24 -50.45 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.342 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.4 tpt -52.21 -36.15 51.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.53 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -55.73 -62.53 1.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.4 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.6 tp -49.23 -54.46 16.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.299 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -42.15 -53.44 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.744 -179.556 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 m -55.72 -45.57 77.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.161 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.48 -30.53 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.499 -0.319 . . . . 1.0 110.99 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t 172.11 138.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.581 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -55.79 154.04 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.647 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.513 ' O ' ' CE1' ' A' ' 80' ' ' TYR . . . -156.96 164.83 37.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.345 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.7 p -89.76 161.55 15.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.4 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 81.5 t -50.76 -51.57 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.717 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.56 -36.83 90.9 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.528 -0.629 . . . . 1.0 111.528 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 30.8 t-80 -65.34 -31.79 73.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.66 0.267 . . . . 1.0 111.017 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.62 -28.11 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.841 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 50' ' ' ASN . 55.5 p -53.66 -24.49 14.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.083 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -79.02 -11.38 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.947 0.403 . . . . 1.0 110.534 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 30' ' ' ARG . 60.6 tt0 -75.68 -45.77 35.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.863 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.8 tp -171.46 -28.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.785 -0.366 . . . . 1.0 110.984 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.471 ' C ' HD22 ' A' ' 51' ' ' LEU . 5.7 m-80 -81.6 128.0 33.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.884 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 51' ' ' LEU . 3.4 mm? -101.34 24.65 9.27 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 177.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.504 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 3.3 p -157.56 138.06 12.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.107 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -85.02 -21.38 29.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.33 -178.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.0 p -66.57 -36.04 81.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.557 -0.292 . . . . 1.0 111.261 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.526 ' OD1' ' N ' ' A' ' 56' ' ' VAL . 18.6 p30 -67.87 -36.47 80.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.733 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.526 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 10.5 t -68.42 -36.88 76.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.753 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.6 m -56.91 -40.85 77.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.865 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.525 ' N ' ' ND1' ' A' ' 58' ' ' HIS . 1.3 m-70 -75.67 -60.29 2.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.932 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -49.04 -53.62 19.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.011 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.5 tp -56.49 -33.49 66.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.785 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -60.71 -31.4 70.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 1.0 110.679 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.5 mt -70.08 -54.13 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.667 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.7 mp -52.79 -35.66 57.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.196 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -61.47 -29.91 70.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.39 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 t -74.28 -33.11 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.406 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.22 -0.88 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.108 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 66.04 9.06 5.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.256 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.3 mt -74.32 -12.97 60.68 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.749 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.559 HG22 ' N ' ' A' ' 70' ' ' LYS . 7.2 p -145.48 162.81 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-O 120.96 0.409 . . . . 1.0 110.59 -178.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' N ' HG22 ' A' ' 69' ' ' VAL . 0.9 OUTLIER -142.87 174.88 10.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.109 -179.664 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -153.88 158.87 41.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 1.0 110.506 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -148.87 161.38 41.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.037 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -93.34 136.9 33.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.371 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -153.02 80.57 1.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.54 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 79.03 49.47 6.36 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.085 -0.806 . . . . 1.0 111.085 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 69.32 -16.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.558 0.218 . . . . 1.0 111.28 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.504 ' H ' ' C ' ' A' ' 75' ' ' GLY . 25.3 p -87.98 120.85 29.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.815 0.34 . . . . 1.0 110.606 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 29.5 mtt -83.25 87.95 6.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.501 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.8 mm -88.61 159.15 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.656 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.513 ' CE1' ' O ' ' A' ' 40' ' ' ALA . 5.3 p90 -150.08 175.89 11.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.219 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 31.3 t -157.44 -175.59 5.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.626 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.466 ' N ' ' OG ' ' A' ' 81' ' ' SER . 59.5 tp -73.31 151.69 41.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.454 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.419 ' OD2' ' OD1' ' A' ' 84' ' ' ASP . 15.8 t70 -46.79 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.734 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' OD1' ' OD2' ' A' ' 83' ' ' ASP . 8.3 m-20 -157.82 -167.92 2.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.994 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.405 HG12 ' H ' ' A' ' 85' ' ' ILE . 13.8 pt -70.02 5.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.629 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.415 ' H ' ' C ' ' A' ' 84' ' ' ASP . 33.6 m170 -83.12 -93.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.886 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.5 t -45.89 -23.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.912 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.85 -51.94 20.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.969 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.1 m -77.97 -41.09 37.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.056 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 35.3 ttp -44.73 -42.22 7.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.967 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.451 HD23 ' C ' ' A' ' 91' ' ' LEU . 3.6 tt -72.1 -57.87 3.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.207 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -60.75 -10.53 5.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -89.3 -25.92 21.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.951 0.405 . . . . 1.0 110.605 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.88 -61.3 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.627 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 95' ' ' ILE . 13.9 pt -62.02 -22.38 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.65 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -70.3 -41.67 73.02 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.337 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -73.2 -6.19 44.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.55 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.54 97.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.004 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -152.24 131.99 13.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.519 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -171.82 60.91 0.31 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.739 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -75.83 149.99 34.13 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.553 2.169 . . . . 1.0 111.853 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm 59.04 73.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.401 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.049 -0.977 . . . . 1.0 110.554 -179.869 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m -50.2 -23.49 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.808 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.95 -28.34 69.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.331 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.457 ' C ' ' N ' ' B' ' 14' ' ' GLU . 95.6 m -79.37 -48.92 13.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.739 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.501 ' N ' HD12 ' B' ' 13' ' ' LEU . 8.6 mp -48.22 -16.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 1.0 109.914 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.457 ' N ' ' C ' ' B' ' 12' ' ' THR . 42.2 mt-10 -84.38 -52.81 5.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.354 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' B' ' 18' ' ' GLU . 85.6 mtm-85 -60.82 -46.99 88.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.498 -177.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.462 HG23 ' N ' ' B' ' 17' ' ' THR . 32.8 m -42.7 -39.75 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.641 0.258 . . . . 1.0 111.273 -178.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.462 ' N ' HG23 ' B' ' 16' ' ' VAL . 18.5 p -62.36 -34.12 76.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 1.0 110.776 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 15' ' ' ARG . 13.2 tm-20 -68.76 -22.46 64.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.615 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.3 mt -74.24 -33.93 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.948 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -77.86 -59.56 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.851 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -46.86 -32.3 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.103 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.454 ' O ' ' CZ ' ' B' ' 28' ' ' ARG . . . -59.31 -22.1 60.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.091 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -94.0 30.32 1.9 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.71 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.42 -87.16 0.02 OUTLIER Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.536 -0.626 . . . . 1.0 111.536 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 26' ' ' TYR . 9.7 t0 -41.88 150.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.36 . . . . 1.0 111.265 -177.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.446 ' N ' ' OD1' ' B' ' 25' ' ' ASP . 41.3 p90 -86.94 -14.72 41.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.624 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.526 ' OD1' ' N ' ' B' ' 28' ' ' ARG . 22.0 p30 -79.49 -39.25 32.56 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.962 -0.295 . . . . 1.0 111.248 -177.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.526 ' N ' ' OD1' ' B' ' 27' ' ' ASN . 11.2 ptm180 -68.15 -37.5 81.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 1.0 111.0 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 17.3 tt -77.0 -22.16 14.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.674 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -67.91 -28.3 67.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.967 0.413 . . . . 1.0 110.133 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.26 -40.41 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.304 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 46.0 mtt -57.26 -30.07 64.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.187 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -71.07 -28.94 64.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.973 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.447 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -68.72 -55.39 11.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.875 -0.602 . . . . 1.0 109.949 178.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -53.52 -23.1 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.942 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -71.17 -50.07 37.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 1.0 110.548 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.6 -34.87 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.477 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t 170.26 156.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.411 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.75 159.46 34.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.509 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.23 172.26 18.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.702 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 94.1 p -92.85 152.0 19.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.415 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.574 HG13 ' N ' ' B' ' 43' ' ' GLY . 14.1 p -50.58 -47.19 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.958 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.574 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -65.75 -30.88 78.22 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 120.967 -0.635 . . . . 1.0 111.549 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -75.73 -36.98 59.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.734 0.272 . . . . 1.0 111.734 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.651 ' C ' HD12 ' B' ' 45' ' ' ILE . 2.4 pp -81.08 -12.7 12.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 121.028 -0.269 . . . . 1.0 110.834 -178.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.637 ' N ' HD12 ' B' ' 45' ' ' ILE . 5.3 t -60.35 -5.84 1.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.92 0.391 . . . . 1.0 110.375 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.413 ' H ' ' C ' ' B' ' 45' ' ' ILE . 1.6 m-70 -82.3 -10.36 59.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.561 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -73.84 -55.57 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.333 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 pp -172.99 -17.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.551 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' B' ' 46' ' ' SER . 34.1 m120 -85.69 143.76 28.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.147 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.436 ' C ' HD12 ' B' ' 51' ' ' LEU . 0.3 OUTLIER -149.48 29.92 0.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.036 -0.357 . . . . 1.0 110.036 -178.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.406 ' C ' ' N ' ' B' ' 54' ' ' SER . 10.9 t -142.27 96.13 2.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.203 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -48.66 -17.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.86 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.406 ' N ' ' C ' ' B' ' 52' ' ' SER . 32.6 t -85.33 -40.73 16.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.303 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -73.86 -42.77 60.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.15 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.53 HG13 ' N ' ' B' ' 57' ' ' SER . 10.9 p -72.39 -43.54 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.978 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.53 ' N ' HG13 ' B' ' 56' ' ' VAL . 42.6 t -59.41 -23.98 63.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.954 0.407 . . . . 1.0 110.529 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -78.64 -55.1 5.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.257 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -47.38 -50.81 21.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.855 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.2 mt -55.16 -32.11 61.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.891 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -69.5 -38.17 77.51 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.776 -0.369 . . . . 1.0 110.735 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -69.64 -36.15 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.682 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 tp -76.54 -29.55 56.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 1.0 110.362 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.13 -50.0 59.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 1.0 109.97 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.44 ' C ' ' H ' ' B' ' 67' ' ' HIS . 18.4 p -50.77 -40.5 55.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.773 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.1 -1.1 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.115 0.484 . . . . 1.0 109.836 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.44 ' H ' ' C ' ' B' ' 65' ' ' SER . 14.4 t60 73.0 15.66 4.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.294 -0.866 . . . . 1.0 112.25 175.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' B' ' 68' ' ' LEU . 7.3 mp -83.36 -103.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.947 -0.39 . . . . 1.0 109.947 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 31.6 m -52.95 157.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.956 0.408 . . . . 1.0 110.952 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -152.73 126.96 9.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.892 -0.594 . . . . 1.0 110.148 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.67 133.21 48.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.696 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -121.22 161.4 21.98 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.177 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -88.79 123.21 32.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.212 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' GLN . . . . . 0.415 ' O ' ' OG ' ' B' ' 77' ' ' SER . 39.8 tt0 -152.8 104.25 2.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.538 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 56.46 52.03 52.65 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.094 -0.802 . . . . 1.0 111.094 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 54.98 5.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.612 0.244 . . . . 1.0 111.095 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.492 ' H ' ' C ' ' B' ' 75' ' ' GLY . 13.1 p -107.81 120.1 41.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.774 0.321 . . . . 1.0 110.262 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.421 ' O ' ' CE1' ' B' ' 80' ' ' TYR . 49.9 mtt -85.49 87.71 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.549 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.466 HG22 ' N ' ' B' ' 80' ' ' TYR . 97.3 mt -80.64 155.9 4.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.389 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.466 ' N ' HG22 ' B' ' 79' ' ' ILE . 9.0 m-85 -125.3 137.96 54.08 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.418 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 11.0 m -147.99 178.28 8.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.421 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -69.76 164.28 23.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.88 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -81.08 -45.76 16.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.582 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' B' ' 85' ' ' ILE . 20.3 t70 -172.68 -169.29 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.199 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.488 ' H ' ' CG ' ' B' ' 84' ' ' ASP . 12.0 mm -77.68 86.35 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 1.0 110.611 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.479 ' CG ' ' O ' ' B' ' 85' ' ' ILE . 71.6 m-70 -159.39 -86.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.827 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 24.6 m -46.09 -20.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.532 . . . . 1.0 111.328 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.07 -55.37 35.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 1.0 110.829 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 69.4 p -66.89 -30.78 71.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.053 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 26.3 ttt -51.85 -53.47 40.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.646 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.72 -43.85 76.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.466 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -65.85 -67.88 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 1.0 110.674 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -41.09 -26.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.311 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.8 -70.25 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.041 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.0 tt -60.82 -19.11 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.694 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -76.5 -23.83 53.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.337 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.499 ' O ' ' NE2' ' B' ' 100' ' ' HIS . 26.7 t60 -70.41 -56.69 6.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.671 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.42 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.924 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.508 ' O ' ' CG ' ' B' ' 100' ' ' HIS . 43.8 t-20 -79.44 146.1 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.958 -178.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' B' ' 99' ' ' ASN . 56.6 m-70 -162.38 151.53 12.95 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.887 178.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -77.17 -49.43 0.1 Allowed 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 121.919 1.746 . . . . 1.0 112.205 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -48.93 -74.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.79 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.996 -1.002 . . . . 1.0 110.738 -179.391 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.968 ' N ' HD21 ' A' ' 9' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.0 p -45.94 -17.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.59 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' ASN . 6.1 t70 -78.38 -64.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.512 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.3 p -57.4 -28.44 63.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.483 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -58.11 -60.34 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.117 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -50.18 -24.43 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.591 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -78.82 -20.7 49.07 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.819 -0.353 . . . . 1.0 110.908 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.7 -18.18 23.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.379 . . . . 1.0 110.111 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 23.6 p -89.14 -59.61 2.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.388 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' N ' ' OG1' ' A' ' 17' ' ' THR . 77.4 tt0 -39.66 -34.65 0.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.915 -177.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 pt -62.31 -35.61 70.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.428 -0.509 . . . . 1.0 110.524 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -79.46 -59.28 2.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.709 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 6.7 mmmm -48.95 -28.51 3.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.267 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.52 -26.77 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.645 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 23' ' ' LEU . 7.1 mp -92.63 -17.51 24.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.175 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.34 73.39 0.01 OUTLIER Glycine 0 CA--C 1.527 0.831 0 CA-C-N 115.884 -0.598 . . . . 1.0 111.712 -177.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' LEU . 30.5 t0 -173.79 123.52 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.96 0.41 . . . . 1.0 110.251 178.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -53.27 -31.95 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.753 -0.658 . . . . 1.0 112.316 -176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.473 ' ND2' ' CG ' ' A' ' 25' ' ' ASP . 10.7 p30 -82.03 -38.84 24.39 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.853 -0.339 . . . . 1.0 111.712 -176.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -73.2 -33.24 65.27 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.735 -0.386 . . . . 1.0 111.128 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.0 tp -74.08 -36.29 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 1.0 111.319 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -70.58 -34.26 72.0 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.939 -0.304 . . . . 1.0 111.598 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 23.9 pt -74.72 -23.83 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.613 -0.435 . . . . 1.0 110.226 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.1 tpt -68.55 -35.59 77.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.24 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -67.14 -27.63 67.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.452 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.428 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -73.94 -60.31 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.223 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.7 mt -50.81 -17.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.491 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.5 m -74.16 -65.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.708 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.6 m -54.4 -37.78 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.703 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.5 p -169.3 151.14 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 1.0 110.716 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.66 169.71 5.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.554 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.86 144.29 18.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.524 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 t -79.05 172.2 14.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.316 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.595 HG13 ' N ' ' A' ' 43' ' ' GLY . 7.4 p -59.47 -55.83 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.803 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.595 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -74.54 -20.1 79.66 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.767 -0.73 . . . . 1.0 111.645 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -75.97 -37.72 58.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.807 0.303 . . . . 1.0 111.741 -176.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.9 tt -77.73 -13.54 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.599 -0.44 . . . . 1.0 110.454 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -59.36 -57.73 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.643 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -58.21 -19.56 34.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.681 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -72.71 3.24 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.05 0.452 . . . . 1.0 110.051 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -155.32 -3.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.488 -0.56 . . . . 1.0 109.488 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.6 t30 51.67 82.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.811 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.424 ' CD2' HD22 ' A' ' 55' ' ' ASN . 2.0 tp -165.09 -167.78 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.132 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.3 t -85.19 152.11 23.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.504 -0.316 . . . . 1.0 110.576 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -76.83 -20.3 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.954 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.438 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 22.9 p -75.07 -28.47 60.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.779 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.424 HD22 ' CD2' ' A' ' 51' ' ' LEU . 99.2 m-20 -69.94 -44.91 68.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.923 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 57' ' ' SER . 24.8 m -76.1 -40.28 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.808 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.469 ' N ' HG23 ' A' ' 56' ' ' VAL . 58.4 m -55.51 -31.99 62.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.102 0.477 . . . . 1.0 110.299 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 54' ' ' SER . 5.4 m-70 -69.12 -35.42 76.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.35 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -64.81 -51.4 62.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.957 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 60' ' ' LEU . 20.5 mt -46.8 -31.91 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.624 -0.262 . . . . 1.0 111.044 -178.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -69.24 -42.34 75.79 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.499 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.0 mt -61.56 -55.93 25.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.604 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 63' ' ' LEU . 10.4 mp -55.3 -32.48 62.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.542 -0.299 . . . . 1.0 110.273 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -66.03 -30.48 71.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.712 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.6 p -67.44 -39.24 85.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.671 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.4 t -80.35 35.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.437 . . . . 1.0 110.314 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 58.0 t-80 47.72 11.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 66' ' ' VAL . 7.3 tp -101.79 144.01 31.0 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.935 -0.394 . . . . 1.0 109.935 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 70' ' ' LYS . 59.8 t 59.22 156.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 1.0 110.86 -178.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.486 ' N ' HG12 ' A' ' 69' ' ' VAL . 25.3 pttm -164.08 157.52 18.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.26 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.74 150.22 28.64 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.923 0.392 . . . . 1.0 110.838 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -147.79 114.03 5.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.958 -0.565 . . . . 1.0 109.933 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 145.06 48.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.344 0.592 . . . . 1.0 111.603 -173.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -152.84 100.4 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.941 -1.027 . . . . 1.0 110.059 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.93 -116.51 4.35 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -111.67 -29.17 7.82 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.907 0.384 . . . . 1.0 110.254 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.0 m -88.43 149.3 23.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.819 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.518 ' O ' ' CE1' ' A' ' 80' ' ' TYR . 65.7 mtt -96.94 102.92 14.79 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.123 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.726 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.6 mp -86.46 135.78 24.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.507 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' A' ' 78' ' ' MET . 19.6 m-85 -118.19 152.9 34.77 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.063 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 91.1 p -159.17 -173.31 4.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.673 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.545 ' N ' HD22 ' A' ' 82' ' ' LEU . 3.0 mm? -69.87 156.24 39.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.368 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -65.52 -38.77 90.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.331 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 17.8 t70 -165.38 -176.9 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.712 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.457 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 13.8 pt -83.35 9.01 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.521 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 88' ' ' ALA . 50.5 m170 -83.37 -82.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.835 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 m -46.14 -19.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.802 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 86' ' ' HIS . . . -60.2 -53.47 57.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.521 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.5 p -58.8 -46.24 88.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.638 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.9 ttp -46.66 -40.06 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.631 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 10.6 tp -61.47 -49.49 76.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.469 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 94' ' ' ALA . 9.1 mtpm? -61.38 -60.69 3.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.82 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -43.36 -17.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.214 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -77.71 -49.42 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.977 -0.289 . . . . 1.0 110.723 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.626 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.6 mp -64.09 -13.9 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.64 -0.504 . . . . 1.0 109.64 178.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -75.13 -64.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.014 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -55.77 -21.35 18.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 1.0 110.547 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.91 -26.19 29.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.421 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.522 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 25.1 t-20 -81.26 88.19 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.624 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 99' ' ' ASN . 26.4 m80 -161.46 67.79 2.3 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.493 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -47.52 -55.63 3.79 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.695 2.264 . . . . 1.0 112.434 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -66.06 -137.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.538 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.066 -0.968 . . . . 1.0 110.462 -179.647 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.595 ' N ' HD21 ' B' ' 9' ' ' ASN . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.355 -0.609 . . . . 1.0 109.355 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.35 -9.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.923 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' B' ' 9' ' ' ASN . 22.1 m-20 -58.94 -36.24 74.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.578 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.531 HG23 ' N ' ' B' ' 13' ' ' LEU . 13.6 t -73.69 -44.64 56.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.605 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.531 ' N ' HG23 ' B' ' 12' ' ' THR . 38.3 tp -45.55 -26.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.454 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -88.72 -45.3 9.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.663 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -59.3 -45.88 90.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.943 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.427 HG23 ' N ' ' B' ' 17' ' ' THR . 34.0 m -50.73 -39.35 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.549 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.427 ' N ' HG23 ' B' ' 16' ' ' VAL . 18.2 m -55.64 -37.05 67.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.546 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -63.68 -27.05 68.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.828 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.472 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 64.2 mt -65.95 -38.1 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.495 -0.32 . . . . 1.0 110.768 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.429 ' C ' ' N ' ' B' ' 22' ' ' ALA . 75.0 m-85 -67.64 -62.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 1.0 110.644 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -49.6 -14.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.796 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -64.04 -37.42 87.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.066 -178.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -74.18 -76.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.578 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.73 -102.64 0.1 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.624 -0.59 . . . . 1.0 111.624 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.26 119.33 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 1.0 111.702 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.577 ' CE1' ' ND2' ' B' ' 27' ' ' ASN . 41.2 p90 -65.6 -16.24 63.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.182 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.577 ' ND2' ' CE1' ' B' ' 26' ' ' TYR . 69.4 m-80 -79.32 -31.23 43.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.952 0.406 . . . . 1.0 110.371 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -66.77 -43.1 84.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.914 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 15.7 pt -73.32 -25.45 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.22 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -65.76 -31.81 72.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.058 0.456 . . . . 1.0 110.196 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 87.5 mt -73.36 -28.36 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.203 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 26.2 ttt -70.83 -36.95 73.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -61.7 -63.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.079 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.27 -22.8 53.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.467 -0.333 . . . . 1.0 111.173 -177.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -81.27 -42.29 20.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.957 0.408 . . . . 1.0 110.086 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 28.5 t -53.62 -40.71 65.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.853 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 24.1 m -72.75 -28.75 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.7 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -161.01 111.89 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.818 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -46.39 167.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.613 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.91 147.83 23.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.921 0.391 . . . . 1.0 110.837 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.45 ' O ' ' CD1' ' B' ' 45' ' ' ILE . 9.5 m -79.25 -159.0 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.727 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 72.1 t -80.37 -65.63 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.75 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' B' ' 45' ' ' ILE . . . -62.15 -49.85 70.87 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.543 -0.623 . . . . 1.0 111.543 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -42.94 -20.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.791 -0.241 . . . . 1.0 111.405 -178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' B' ' 43' ' ' GLY . 90.7 mt -81.87 -33.57 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.552 -0.295 . . . . 1.0 111.208 -178.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 12.8 p -46.72 -42.7 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 1.0 111.097 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.44 ' N ' ' ND1' ' B' ' 47' ' ' HIS . 0.8 OUTLIER -69.33 -15.62 63.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.478 -178.742 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -73.58 -57.35 4.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.872 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 36.5 tp -173.88 -16.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.027 0.441 . . . . 1.0 110.537 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.594 ' N ' HD22 ' B' ' 50' ' ' ASN . 1.6 m120 -81.33 -11.19 59.39 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.398 0.518 . . . . 1.0 112.398 -176.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.498 HD12 ' N ' ' B' ' 51' ' ' LEU . 10.2 mp 42.41 -89.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.911 0.386 . . . . 1.0 110.891 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.542 ' N ' ' O ' ' B' ' 50' ' ' ASN . 13.2 p -56.39 128.64 36.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.366 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -76.04 -24.73 55.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.224 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.4 m -72.15 -27.91 62.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.874 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -69.88 -44.5 69.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.144 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.14 -36.33 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 1.0 110.86 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.5 m -62.88 -38.34 90.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.711 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -69.06 -58.42 4.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.896 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -54.25 -40.17 67.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.962 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.7 -31.67 71.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.589 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -67.51 -32.6 73.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.871 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 8.8 tp -67.27 -38.56 85.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.718 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 13.6 mt -65.58 -25.69 67.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.779 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -74.68 -28.5 60.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.553 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 6.8 m -66.94 -35.67 80.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.611 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.443 ' O ' HG12 ' B' ' 66' ' ' VAL . 25.1 t -79.44 -0.78 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.354 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 75.94 8.12 3.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.458 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' B' ' 69' ' ' VAL . 20.6 mt -62.41 -118.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.388 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' B' ' 68' ' ' LEU . 33.5 m -41.79 168.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.961 0.41 . . . . 1.0 111.421 -178.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -141.32 145.85 35.98 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.158 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ALA . . . . . 0.428 ' HB2' ' CD2' ' B' ' 80' ' ' TYR . . . -106.46 134.9 48.89 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.977 -178.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -105.38 131.55 52.68 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.066 -0.516 . . . . 1.0 109.881 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -89.8 120.49 31.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.846 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -137.41 88.84 2.37 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.67 -164.2 42.68 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.443 -1.063 . . . . 1.0 110.443 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.86 -9.88 11.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 1.0 110.384 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 43.9 t -96.28 115.64 27.75 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.757 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 54.5 mtm -98.43 140.27 32.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.177 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.6 pt -139.51 162.25 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.398 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.534 ' N ' ' CD1' ' B' ' 80' ' ' TYR . 8.5 m-85 -131.49 165.97 22.39 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.468 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 18.8 m -159.84 -172.57 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.708 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 25.8 mt -61.78 172.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.398 . . . . 1.0 110.785 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 0.5 OUTLIER -81.49 -72.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.497 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.548 ' CG ' ' HD1' ' B' ' 86' ' ' HIS . 30.2 p30 -161.91 -170.76 2.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 1.0 109.764 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.514 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 18.3 pt -71.88 58.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.882 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.548 ' HD1' ' CG ' ' B' ' 84' ' ' ASP . 33.1 m80 -146.03 -41.59 0.21 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.274 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.426 HG23 ' N ' ' B' ' 88' ' ' ALA . 28.8 m -81.12 -37.15 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.727 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.426 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -67.42 -34.39 77.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.848 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 25.7 p -67.07 -64.72 0.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.686 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -46.96 -22.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.839 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -67.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.357 -178.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -65.74 -8.87 23.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.098 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.412 ' OE1' ' O ' ' B' ' 93' ' ' GLN . 1.3 tm0? -85.47 -31.33 22.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.877 0.37 . . . . 1.0 110.208 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.18 -52.03 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.261 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 9.9 tp -53.38 -26.93 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.008 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -68.86 -42.19 77.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.036 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -70.84 -26.07 63.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.64 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.54 -33.78 60.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.762 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.525 ' O ' ' CG ' ' B' ' 100' ' ' HIS . 34.0 t30 -73.75 75.58 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.812 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' B' ' 99' ' ' ASN . 37.5 m80 -159.91 66.0 2.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.045 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.3 115.57 1.62 Allowed 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.398 2.065 . . . . 1.0 111.916 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -63.96 179.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.565 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.98 -1.009 . . . . 1.0 110.584 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 109.431 -0.581 . . . . 1.0 109.431 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 t -53.96 -28.68 38.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.723 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -68.12 -61.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.259 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.4 p -55.36 -32.97 63.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.406 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.2 tt -63.19 -17.08 62.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.252 0.549 . . . . 1.0 109.755 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -80.86 -14.68 57.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.869 -0.789 . . . . 1.0 108.869 174.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -96.55 -32.15 12.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.075 -0.966 . . . . 1.0 111.851 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.7 m -73.26 -12.81 15.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.258 -0.577 . . . . 1.0 110.562 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.9 m -88.75 -70.12 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.564 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -46.46 -31.55 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.489 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.485 HG23 ' N ' ' A' ' 20' ' ' PHE . 17.8 tt -51.78 -42.32 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.345 . . . . 1.0 110.703 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.485 ' N ' HG23 ' A' ' 19' ' ' ILE . 59.2 m-85 -73.42 -49.52 26.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.803 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -46.66 -25.83 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.922 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.22 68.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.917 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -85.91 -6.76 59.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.735 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.58 -64.39 1.62 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.405 -0.678 . . . . 1.0 111.405 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -44.6 110.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.877 0.37 . . . . 1.0 110.963 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.522 ' CZ ' ' ND2' ' A' ' 27' ' ' ASN . 41.4 p90 -63.26 -18.85 64.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.938 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.522 ' ND2' ' CZ ' ' A' ' 26' ' ' TYR . 13.1 m-80 -77.79 -38.25 47.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.79 -178.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -72.77 -50.71 22.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.991 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.427 HD12 ' SD ' ' A' ' 32' ' ' MET . 10.2 tp -54.98 -28.76 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.581 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -68.69 -28.49 66.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.693 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.9 mt -75.4 -33.05 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.415 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.427 ' SD ' HD12 ' A' ' 29' ' ' ILE . 52.6 mtt -65.06 -35.41 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.571 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.07 -39.07 88.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.661 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.66 -59.18 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.384 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 41.2 mt -54.27 -20.39 6.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.728 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -70.02 -43.52 71.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.465 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.0 t -76.55 -29.44 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.537 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.0 p -173.45 130.87 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.826 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -72.13 155.16 40.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.496 179.162 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.36 -177.59 6.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.841 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 m -95.37 155.85 16.57 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.197 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -49.02 -42.26 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.398 -0.364 . . . . 1.0 111.304 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.99 -42.38 94.75 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 121.198 -0.525 . . . . 1.0 112.368 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -70.08 -34.76 73.58 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 122.636 -0.332 . . . . 1.0 111.746 -175.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.484 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 31.0 pt -73.35 -13.21 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.276 -0.57 . . . . 1.0 109.981 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 50' ' ' ASN . 14.9 t -57.65 -15.29 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.455 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -60.32 -10.83 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.023 0.439 . . . . 1.0 110.167 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 45' ' ' ILE . 2.8 mp0 -96.01 -57.17 2.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.534 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 49' ' ' LEU . 9.4 mp -82.58 -38.06 24.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.668 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' SER . 7.5 p30 43.87 90.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.633 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 tp -169.66 -143.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.931 -0.577 . . . . 1.0 109.706 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 t -73.64 134.75 43.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 1.0 110.395 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -74.68 -18.76 60.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.748 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 58' ' ' HIS . 76.9 p -80.77 -25.06 38.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.474 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -74.04 -44.45 54.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.525 . . . . 1.0 111.027 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.4 p -70.75 -35.24 59.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.821 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.8 p -70.87 -32.8 69.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.84 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 54' ' ' SER . 1.6 m-70 -65.63 -49.52 68.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.781 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.6 -20.97 63.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.807 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.68 -35.97 82.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.844 0.354 . . . . 1.0 110.055 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -71.13 -37.34 72.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.407 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.506 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.3 tt -50.22 -51.37 44.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.242 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.99 -19.84 65.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.255 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -69.76 -14.59 62.85 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.529 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.475 ' C ' ' H ' ' A' ' 67' ' ' HIS . 18.5 p -73.7 -52.62 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.535 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.406 HG23 ' H ' ' A' ' 68' ' ' LEU . 9.2 m -68.38 6.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.417 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.475 ' H ' ' C ' ' A' ' 65' ' ' SER . 54.6 t60 58.57 13.99 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.024 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.406 ' H ' HG23 ' A' ' 66' ' ' VAL . 6.7 tp -74.52 -11.81 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 1.0 110.421 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 70' ' ' LYS . 47.0 t -138.61 158.23 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.28 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' N ' HG12 ' A' ' 69' ' ' VAL . 52.6 tttp -143.96 135.33 25.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.16 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.89 143.99 31.77 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.74 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -127.56 143.82 51.13 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.146 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -90.22 124.87 35.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.6 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.42 ' OE1' ' O ' ' A' ' 74' ' ' GLN . 11.0 tm0? -148.69 89.18 1.67 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.266 -0.425 . . . . 1.0 109.86 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.61 176.45 42.68 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.319 -1.112 . . . . 1.0 110.319 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -49.62 -19.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 1.0 110.446 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 m -91.13 134.39 34.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.749 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.526 ' O ' ' CE2' ' A' ' 80' ' ' TYR . 24.9 mtt -95.66 96.09 8.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.318 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.4 mt -80.19 149.95 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.561 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.526 ' CE2' ' O ' ' A' ' 78' ' ' MET . 55.4 m-85 -130.55 149.54 52.16 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.07 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 82' ' ' LEU . 92.0 p -159.22 -172.17 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 1.0 110.705 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 81' ' ' SER . 14.5 mt -59.74 -145.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.543 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 40.4 p30 -173.52 -18.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.863 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 83' ' ' ASP . 6.9 m-20 -160.96 149.91 16.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.888 0.375 . . . . 1.0 110.522 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.5 pt -81.57 63.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.655 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -149.35 -25.73 0.28 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.636 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.532 HG23 ' N ' ' A' ' 88' ' ' ALA . 34.8 m -70.39 -44.85 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.817 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.532 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -61.53 -52.39 64.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.752 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 93' ' ' GLN . 11.2 p -54.99 -43.85 73.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.83 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 9.9 ttt -46.43 -47.91 18.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.015 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.3 mt -66.05 -53.66 35.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.832 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -70.68 -16.26 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.124 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 89' ' ' THR . 41.0 tt0 -83.14 -32.2 26.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.92 0.391 . . . . 1.0 110.623 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.41 -55.67 7.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.692 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.0 tt -58.22 -25.79 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.692 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -67.31 -31.61 72.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.843 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -72.45 -60.25 2.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.775 -0.37 . . . . 1.0 110.692 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.33 -77.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.852 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -87.46 66.79 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.001 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.597 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 12.3 t-160 -76.78 -35.26 1.42 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.639 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 100' ' ' HIS . 40.7 Cg_endo -91.1 133.29 1.58 Allowed 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 122.089 1.859 . . . . 1.0 112.263 -178.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -72.79 -20.72 61.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.602 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.939 -1.029 . . . . 1.0 110.578 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.641 ' N ' HD21 ' B' ' 9' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.1 p -88.3 -37.07 16.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.791 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -72.97 -34.49 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.775 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -55.65 -67.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.766 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.479 ' N ' HD12 ' B' ' 13' ' ' LEU . 8.3 mp -45.38 -35.09 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.439 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.17 -46.69 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.039 0.447 . . . . 1.0 110.636 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 51.5 ttm-85 -64.15 -30.83 71.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.859 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 83.5 t -67.33 -63.11 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.425 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -48.65 -36.1 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.53 -0.468 . . . . 1.0 110.666 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -59.47 -24.15 63.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.792 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 84.2 mt -62.89 -56.95 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.727 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -53.51 -54.03 42.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.671 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -45.1 -37.79 4.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.936 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.56 -31.51 68.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.666 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.584 ' N ' HD12 ' B' ' 23' ' ' LEU . 7.1 mp -92.23 -17.85 24.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 1.0 109.959 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.11 75.29 0.01 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.18 -0.768 . . . . 1.0 111.18 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' B' ' 23' ' ' LEU . 11.2 m-20 -167.08 164.45 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -88.18 -71.57 0.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.919 0.39 . . . . 1.0 111.968 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.456 HD21 HD22 ' B' ' 49' ' ' LEU . 13.7 t30 -66.39 -22.02 66.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 1.0 112.419 -173.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -73.3 -33.19 65.06 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.557 -0.457 . . . . 1.0 110.985 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' B' ' 25' ' ' ASP . 82.6 mt -71.22 -33.72 51.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.964 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -64.82 -29.93 70.91 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.699 -0.4 . . . . 1.0 110.582 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 89.1 mt -74.78 -53.5 16.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.596 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 54.2 mtt -47.49 -42.31 22.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.665 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -55.66 -56.42 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.692 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.522 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -66.2 -38.44 87.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.103 0.477 . . . . 1.0 110.398 -179.043 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.434 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -59.08 -62.47 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.637 -178.737 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -48.91 -64.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.753 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 22.8 m -50.89 -22.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 1.0 112.012 -175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 24.4 t -166.22 112.55 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.26 -0.576 . . . . 1.0 111.693 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.56 147.83 40.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.444 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.72 178.23 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.568 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.1 t -96.63 157.51 15.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.136 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 88.8 t -51.07 -50.18 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.805 0.336 . . . . 1.0 110.642 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.07 -43.45 95.15 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.419 -0.673 . . . . 1.0 111.419 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -67.0 -32.43 73.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 1.0 110.883 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 94.5 mt -70.13 -23.38 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.144 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.524 ' O ' ' N ' ' B' ' 50' ' ' ASN . 27.4 t -48.19 -48.14 34.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 1.0 110.504 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -51.25 -19.33 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.927 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -90.74 -22.23 21.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.623 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.456 HD22 HD21 ' B' ' 27' ' ' ASN . 10.7 tp -160.02 55.8 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.204 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 46' ' ' SER . 3.1 m120 -43.27 106.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.317 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.461 HD23 ' C ' ' B' ' 51' ' ' LEU . 2.0 tt -168.38 108.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.361 178.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.437 ' C ' ' O ' ' B' ' 51' ' ' LEU . 4.6 m 5.14 111.74 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.72 1.262 . . . . 1.0 113.981 -178.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.592 ' H ' ' CD ' ' B' ' 53' ' ' GLN . 20.2 mp0 -44.48 -41.98 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.937 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 34.1 t -44.34 -38.97 4.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 1.0 110.908 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -70.02 -42.19 73.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 57.0 t -71.93 -38.3 64.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.033 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -57.92 -31.95 67.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.495 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -78.08 -52.07 9.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.246 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -55.79 -53.27 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.728 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 tp -52.43 -35.24 51.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 1.0 110.836 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -57.83 -27.71 63.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.694 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 27.4 tp -81.89 -45.12 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.694 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.522 ' N ' HD12 ' B' ' 63' ' ' LEU . 10.4 mp -61.55 -37.43 83.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.663 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -75.35 -18.8 59.9 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.336 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.464 ' C ' ' H ' ' B' ' 67' ' ' HIS . 8.1 t -65.81 -54.21 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.566 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.53 HG22 ' O ' ' B' ' 66' ' ' VAL . 4.0 p -63.1 -0.49 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.208 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' B' ' 65' ' ' SER . 1.0 OUTLIER 71.48 13.7 6.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.668 -0.697 . . . . 1.0 111.287 177.106 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.426 ' H ' HG13 ' B' ' 66' ' ' VAL . 39.3 tp -65.52 -14.49 61.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.122 0.486 . . . . 1.0 109.945 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.46 HG12 ' N ' ' B' ' 70' ' ' LYS . 21.9 t -134.41 160.12 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.866 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.46 ' N ' HG12 ' B' ' 69' ' ' VAL . 86.5 tttt -140.63 120.95 13.97 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.872 0.367 . . . . 1.0 110.551 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.75 162.06 13.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.027 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -144.69 159.53 42.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.377 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -80.78 99.83 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.704 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -121.0 106.34 11.5 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.877 -0.416 . . . . 1.0 109.877 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 66.15 -166.82 36.59 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.195 -1.162 . . . . 1.0 110.195 -177.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -80.02 29.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.786 0.327 . . . . 1.0 110.361 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.415 ' H ' ' C ' ' B' ' 75' ' ' GLY . 19.6 m -139.55 152.92 47.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.071 0.462 . . . . 1.0 110.792 -178.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 7.7 ttt -94.67 120.56 35.09 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.442 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 18.7 tt -109.12 138.97 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.326 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -107.44 135.77 48.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.529 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.4 t -161.82 -166.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.366 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.516 ' C ' HD12 ' B' ' 82' ' ' LEU . 0.8 OUTLIER -174.04 177.03 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.514 179.448 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.455 ' O ' ' CB ' ' B' ' 84' ' ' ASP . 8.7 m-20 -66.26 -83.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.289 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' B' ' 83' ' ' ASP . 0.6 OUTLIER 97.09 -165.66 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 O-C-N 124.476 1.11 . . . . 1.0 110.429 -179.533 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.428 HD13 HG21 ' B' ' 85' ' ' ILE . 1.0 OUTLIER 81.52 -38.95 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 109.268 -0.641 . . . . 1.0 109.268 -177.72 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -92.18 -88.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.317 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.502 HG23 ' N ' ' B' ' 88' ' ' ALA . 34.6 m -46.4 -42.57 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.092 -178.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.502 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -44.43 -40.0 5.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 1.0 110.828 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 68.2 p -68.15 -36.72 80.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.423 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' MET . . . . . 0.428 ' N ' ' O ' ' B' ' 87' ' ' VAL . 34.4 ttp -47.14 -35.15 6.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.394 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.8 mt -70.48 -52.8 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.406 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.404 ' HZ2' ' HB2' ' B' ' 92' ' ' LYS . 1.0 OUTLIER -63.68 -56.12 18.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.979 -179.739 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 25.3 mm100 -43.05 -30.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.189 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.1 -62.71 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.886 -0.326 . . . . 1.0 110.45 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.44 -20.73 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.409 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' HIS . . . . . 0.428 ' C ' ' HD1' ' B' ' 96' ' ' HIS . 1.2 t-80 -68.87 -54.42 15.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.763 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -67.34 -10.35 50.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.46 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.45 -35.36 25.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.528 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -159.91 114.55 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.283 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -68.48 151.66 97.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.322 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -39.1 108.56 0.08 OUTLIER 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 121.916 1.744 . . . . 1.0 112.503 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -79.31 110.73 14.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.455 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.553 -179.918 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.46 ' C ' ' N ' ' A' ' 11' ' ' ASP . 11.3 m120 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.387 -0.597 . . . . 1.0 109.387 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 t -46.61 -15.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.676 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' A' ' 9' ' ' ASN . 55.4 m-20 -70.68 -59.01 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.554 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.2 m -62.17 -28.47 69.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.6 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' C ' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -53.08 -67.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.376 -179.585 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.36 -19.82 65.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.408 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -58.3 -33.07 69.06 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.639 -0.424 . . . . 1.0 110.492 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.41 -38.8 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.728 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.0 p -68.87 -38.82 79.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.552 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -56.51 -23.73 41.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.704 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.4 mt -71.0 -42.41 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.756 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -70.67 -57.78 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.899 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -49.3 -41.47 38.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.702 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.22 -27.31 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.619 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 24' ' ' GLY . 35.5 mt -71.56 -76.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.23 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . 56.02 157.54 0.01 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.3 -0.72 . . . . 1.0 111.3 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 24' ' ' GLY . 12.3 m-20 59.14 128.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 1.0 111.011 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 27' ' ' ASN . 42.8 p90 -75.88 -29.86 58.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.489 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.479 HD21 ' CD2' ' A' ' 49' ' ' LEU . 37.7 t-20 -63.57 -40.74 97.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.621 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -65.0 -43.1 93.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.821 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.16 -20.06 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.795 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -73.59 -31.46 63.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 1.0 110.308 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.1 mt -66.22 -38.55 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.139 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.9 tpt -61.8 -31.57 71.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.511 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -60.13 -44.37 94.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.68 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.2 tp -59.23 -51.06 71.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.516 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 mt -46.28 -37.28 7.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.72 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -61.11 -62.52 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 1.0 110.847 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -49.72 -48.93 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.809 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 t -166.49 152.27 8.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 23.7 mp0 -53.88 168.35 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.524 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.29 132.19 8.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.67 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.4 t -76.34 171.31 14.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.531 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.599 HG13 ' N ' ' A' ' 43' ' ' GLY . 7.0 p -58.27 -56.61 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.778 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.599 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -66.28 -41.74 94.5 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.168 -0.773 . . . . 1.0 111.168 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.457 ' O ' ' ND1' ' A' ' 44' ' ' HIS . 19.4 t-80 -47.74 -29.13 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.677 0.275 . . . . 1.0 110.778 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.5 mt -75.07 -33.95 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.63 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' ASN . 8.6 t -44.16 -55.01 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 1.0 111.031 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -67.8 -22.72 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.102 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -65.85 -26.18 67.54 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.577 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD2' HD21 ' A' ' 27' ' ' ASN . 6.1 tp -164.59 48.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.742 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.471 ' CG ' ' H ' ' A' ' 51' ' ' LEU . 34.4 t-20 54.02 -141.78 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.036 178.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.486 ' N ' HD12 ' A' ' 51' ' ' LEU . 10.1 mp 53.79 -175.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 -177.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.3 p -128.85 -165.1 1.46 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.578 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -73.76 -38.66 64.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.861 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.3 p -48.66 -43.46 36.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.866 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -66.97 -42.52 84.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.928 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.2 t -67.7 -42.61 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.673 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.9 p -57.1 -46.08 82.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.371 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -65.99 -30.38 70.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.695 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 61' ' ' LYS . 28.0 tt0 -70.67 -69.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.567 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 54.5 mt -44.52 -16.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.902 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 59' ' ' GLN . 5.9 tppt? -74.87 -45.3 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.687 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.86 -40.72 95.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.636 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.561 ' N ' HD22 ' A' ' 63' ' ' LEU . 3.2 mm? -66.5 -35.61 80.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -49.43 -44.88 45.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.594 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 t -54.31 -51.33 65.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.533 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.6 t -75.44 -15.46 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.397 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.0 t60 59.18 26.98 15.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.769 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.529 HD23 ' O ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -67.46 -13.55 62.13 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.754 -0.462 . . . . 1.0 109.754 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.3 m -131.63 146.54 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.246 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 81' ' ' SER . 34.7 ttpt -117.77 158.16 25.26 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.315 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -162.27 151.48 15.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.565 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -147.18 128.56 14.89 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.811 -0.44 . . . . 1.0 109.811 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -61.18 152.59 28.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.229 0.538 . . . . 1.0 111.826 -175.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -149.8 83.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.206 -0.907 . . . . 1.0 109.446 178.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.19 -157.64 37.18 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.882 -1.287 . . . . 1.0 109.882 -176.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -71.28 -9.73 58.59 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.791 -0.363 . . . . 1.0 110.673 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -93.04 121.93 34.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.788 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.7 mtt -85.81 91.39 8.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.144 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.1 tp -81.1 134.86 26.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.056 0.455 . . . . 1.0 110.851 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -115.23 149.27 38.01 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.158 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 70' ' ' LYS . 51.8 p -153.87 -178.77 7.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.554 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.517 HD23 ' H ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -89.65 175.63 7.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.154 -0.475 . . . . 1.0 109.863 179.635 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 17.6 t70 -71.45 -97.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.67 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 83' ' ' ASP . 16.4 m-20 -142.82 -135.44 0.1 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.408 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.518 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 24.3 mt -88.89 85.03 2.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.725 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 41.9 m80 -160.3 -40.0 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.504 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.0 m -83.32 -29.89 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.535 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.76 -58.53 7.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.686 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.47 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 2.8 t -61.05 -29.35 69.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.636 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.3 tpp -49.07 -65.55 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.744 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.533 ' N ' HD12 ' A' ' 91' ' ' LEU . 10.2 mp -53.34 -39.63 64.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.488 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -66.25 -71.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.745 -0.382 . . . . 1.0 110.868 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.47 ' NE2' ' OG1' ' A' ' 89' ' ' THR . 34.5 mt-30 -42.18 -26.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.43 -178.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.07 -64.09 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.111 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.5 tt -69.1 -9.89 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.872 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -68.63 -49.79 56.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.292 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -79.64 -8.89 59.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.775 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.68 -13.85 61.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.874 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.521 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 31.0 p30 -172.42 179.75 2.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.564 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 99' ' ' ASN . 93.3 m-70 -160.77 133.85 4.68 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.163 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -41.02 -61.26 0.51 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 121.561 1.507 . . . . 1.0 112.715 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? 56.24 104.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.608 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.697 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.446 ' CG ' ' H ' ' B' ' 10' ' ' THR . 49.3 t-20 . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.446 ' H ' ' CG ' ' B' ' 9' ' ' ASN . 41.1 p -51.77 -13.34 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 1.0 110.628 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' B' ' 9' ' ' ASN . 31.1 t70 -75.74 -45.89 34.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.487 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 85.0 m -68.35 -54.84 14.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.479 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.516 ' O ' HD13 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -45.7 -29.51 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.222 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.419 ' O ' ' OG1' ' B' ' 17' ' ' THR . 30.8 tt0 -65.39 -45.14 85.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.41 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -70.45 -38.67 74.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.181 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.409 ' O ' HG12 ' B' ' 16' ' ' VAL . 40.6 t -64.08 -14.31 15.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.498 -177.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 37.0 p -91.21 -34.14 15.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 1.0 110.669 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -72.5 -25.64 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 1.0 111.253 -178.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.546 HG23 ' N ' ' B' ' 20' ' ' PHE . 18.7 tt -57.19 -45.32 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.815 -0.354 . . . . 1.0 110.745 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.546 ' N ' HG23 ' B' ' 19' ' ' ILE . 89.0 m-85 -71.85 -54.61 9.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.983 -178.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -47.21 -30.85 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.529 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.429 ' O ' ' NH1' ' B' ' 28' ' ' ARG . . . -51.72 -30.36 22.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.741 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.591 ' N ' HD12 ' B' ' 23' ' ' LEU . 7.0 mp -75.9 -65.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.163 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.33 -96.47 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.51 148.99 8.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.334 . . . . 1.0 110.852 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -83.0 -24.28 32.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.64 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -56.62 -34.37 67.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.8 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' B' ' 22' ' ' ALA . 85.0 mtt180 -69.89 -27.7 65.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.575 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.4 mt -74.42 -31.91 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.879 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -64.85 -30.8 71.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 1.0 110.721 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.13 -47.25 79.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 15.5 ttt -48.89 -40.95 31.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.705 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.29 -46.32 80.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.612 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.35 -46.09 69.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.448 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 31.0 mt -76.58 -5.28 47.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.969 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.1 p -84.91 -49.78 8.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.75 0.309 . . . . 1.0 110.631 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.02 -32.52 54.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.83 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.6 m -170.8 159.16 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.683 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -69.47 168.28 14.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.258 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.42 136.42 11.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.772 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.7 t -77.95 -159.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.641 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.587 ' O ' HG22 ' B' ' 45' ' ' ILE . 76.1 t -77.03 -64.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.566 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.01 -40.44 88.69 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.162 -0.542 . . . . 1.0 112.025 -176.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -45.69 -23.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.714 -0.286 . . . . 1.0 111.548 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.587 HG22 ' O ' ' B' ' 42' ' ' VAL . 8.7 tt -72.51 -29.93 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 1.0 110.664 -178.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.514 ' O ' ' N ' ' B' ' 50' ' ' ASN . 53.3 p -45.98 -48.55 16.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.592 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -51.07 -27.06 7.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.535 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -96.31 -58.51 2.05 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.384 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.449 HD12 ' N ' ' B' ' 49' ' ' LEU . 10.1 mp -106.89 54.2 0.68 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.151 -0.477 . . . . 1.0 109.735 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' B' ' 46' ' ' SER . 51.4 t30 -41.35 107.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 1.0 111.285 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 tp -170.4 -154.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.949 -0.569 . . . . 1.0 109.502 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -75.24 132.48 41.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 1.0 110.362 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -69.52 -17.28 63.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.62 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 12.6 t -81.26 -24.97 36.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.632 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -67.16 -43.2 82.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.656 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 t -71.75 -36.42 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.615 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 45.8 p -61.45 -34.7 75.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.363 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.12 -40.79 51.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.572 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -69.92 -46.74 64.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.575 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 tp -52.78 -33.8 50.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.558 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -69.24 -36.33 77.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.28 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.469 HD23 ' O ' ' B' ' 62' ' ' LEU . 1.8 tt -60.04 -55.26 36.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 1.0 109.916 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.3 mt -51.43 -22.32 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.065 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.423 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 16.7 tptm -71.41 -28.48 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.754 -0.379 . . . . 1.0 110.408 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.8 m -48.21 -58.72 4.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.344 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -72.59 -5.63 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.16 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' B' ' 64' ' ' LYS . 28.5 m-70 60.54 21.76 11.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.368 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tp -54.38 -13.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.548 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 m -143.82 169.42 10.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.074 0.464 . . . . 1.0 110.669 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -127.93 175.25 8.51 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.747 -0.66 . . . . 1.0 109.802 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.02 134.32 26.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.536 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -128.32 143.5 51.02 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.163 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 55.6 ttp85 -93.02 146.21 23.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.751 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -151.66 93.11 1.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.266 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.3 -113.66 3.68 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.573 -1.011 . . . . 1.0 110.573 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -113.88 -27.31 7.8 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.845 0.355 . . . . 1.0 110.251 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -84.87 143.14 29.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.661 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.51 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -94.26 120.73 34.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.367 179.12 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.6 mm -100.11 149.51 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.408 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -137.57 154.02 49.86 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.401 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.7 t -159.56 -172.69 3.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.807 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -68.09 -160.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.006 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -171.68 122.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.666 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 t0 75.96 133.31 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.459 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 11.5 pt -85.02 66.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.385 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' B' ' 85' ' ' ILE . 34.2 m80 -151.63 -33.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.236 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.546 HG23 ' N ' ' B' ' 88' ' ' ALA . 10.1 m -67.5 -45.17 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.664 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.546 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -57.11 -39.54 75.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.962 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 73.9 p -66.46 -46.99 74.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.932 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 40.4 ttm -44.58 -47.41 10.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.949 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.06 -47.53 85.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.682 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -68.93 -65.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.798 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -41.59 -30.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.297 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.67 -67.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.72 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 pt -65.69 -9.35 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.43 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 61.3 t-80 -71.15 -31.83 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.016 0.436 . . . . 1.0 109.917 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.506 ' C ' ' H ' ' B' ' 99' ' ' ASN . 24.3 t60 -67.89 -53.59 25.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.908 -0.587 . . . . 1.0 109.944 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.04 23.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.095 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.506 ' H ' ' C ' ' B' ' 97' ' ' HIS . 10.3 t-20 -143.23 79.0 1.62 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.87 0.367 . . . . 1.0 110.485 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' B' ' 101' ' ' PRO . 3.9 m80 -121.44 83.82 41.04 Favored Pre-proline 0 N--CA 1.466 0.328 0 N-CA-C 109.586 -0.524 . . . . 1.0 109.586 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' B' ' 100' ' ' HIS . 50.8 Cg_exo -55.64 -139.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.509 2.139 . . . . 1.0 112.729 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -44.24 143.44 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.953 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.053 -0.975 . . . . 1.0 110.651 179.759 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.612 HD22 ' N ' ' A' ' 9' ' ' ASN . 1.5 m120 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -45.95 -18.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.719 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.436 ' N ' ' C ' ' A' ' 9' ' ' ASN . 21.7 t0 -64.03 -43.98 93.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.502 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 14' ' ' GLU . 61.5 p -66.67 -61.21 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.587 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.7 tp -40.56 -21.37 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.004 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 12' ' ' THR . 31.5 tt0 -76.12 -54.91 6.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.73 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -64.12 -9.9 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.846 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.76 -28.69 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.741 -0.384 . . . . 1.0 111.086 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -86.86 -29.13 22.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.727 0.299 . . . . 1.0 110.736 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -71.22 -32.63 69.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.38 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 pt -64.03 -32.44 57.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.875 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' LEU . 60.8 m-85 -77.21 -53.68 7.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 1.0 110.528 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -47.94 -25.13 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.382 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.05 -34.34 29.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.432 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 24' ' ' GLY . 38.8 tp -65.77 -26.49 67.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.187 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -55.35 -122.65 0.01 OUTLIER Glycine 0 CA--C 1.526 0.777 0 CA-C-N 115.854 -0.612 . . . . 1.0 111.603 -177.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' GLY . 3.3 m-20 46.94 93.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.36 . . . . 1.0 110.292 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -50.33 -20.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.8 -178.083 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -78.38 -39.49 39.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.835 -179.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -77.29 -44.53 29.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.336 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.535 HG23 ' N ' ' A' ' 30' ' ' ARG . 20.4 tt -52.89 -44.87 50.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.812 -0.355 . . . . 1.0 111.251 -176.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.535 ' N ' HG23 ' A' ' 29' ' ' ILE . 1.7 tmm_? -72.1 -32.64 67.19 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.513 -0.475 . . . . 1.0 110.749 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.5 mt -69.09 -28.79 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.9 tpt -62.14 -31.71 72.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.301 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.34 -36.65 84.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.41 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 tp -64.81 -60.91 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.366 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.3 mt -43.09 -39.25 2.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.94 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -54.16 -53.2 56.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 1.0 110.5 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.0 t -54.6 -45.93 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.384 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.6 p -173.97 137.42 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.475 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -44.69 161.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.847 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.89 136.41 12.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.432 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.1 m -75.68 173.23 11.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.544 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.96 -53.34 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.944 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.07 -36.92 93.07 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.349 -0.701 . . . . 1.0 111.349 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -64.44 -25.65 68.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 1.0 110.849 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 91.0 mt -81.3 -26.85 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.948 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 50' ' ' ASN . 37.9 t -56.91 -11.08 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.885 -0.326 . . . . 1.0 111.217 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -89.57 -11.47 42.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 1.0 110.333 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.526 ' O ' ' NH2' ' A' ' 30' ' ' ARG . 32.3 mm-40 -74.68 -55.55 5.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.973 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 49' ' ' LEU . 1.2 tt -161.17 -34.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 1.0 110.574 -176.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 46' ' ' SER . 6.1 m120 -81.13 141.18 34.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.982 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 51' ' ' LEU . 2.9 mm? -94.13 -60.48 1.73 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 1.0 109.961 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 t -74.09 139.89 44.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.871 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -82.23 -36.95 26.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.468 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.3 t -56.41 -30.98 63.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.479 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -66.96 -42.76 84.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.383 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 t -71.67 -38.65 67.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.577 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.2 m -63.64 -37.18 86.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.671 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -76.03 -46.4 29.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.651 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -67.93 -46.85 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.832 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 tp -55.67 -32.97 63.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.481 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -69.28 -30.93 69.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.819 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.2 tp -68.79 -33.89 74.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.246 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.1 mt -76.04 -25.46 55.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.34 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -52.72 -37.09 58.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.28 -0.418 . . . . 1.0 109.959 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 67' ' ' HIS . 69.5 m -54.22 -52.62 60.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.142 178.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.526 ' O ' ' CG ' ' A' ' 67' ' ' HIS . 2.8 t -68.13 4.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.225 0.536 . . . . 1.0 109.698 177.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 66' ' ' VAL . 20.0 p80 41.89 27.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.515 -0.766 . . . . 1.0 111.513 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.489 ' O ' HD13 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -57.12 -16.97 8.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.086 0.47 . . . . 1.0 109.859 179.566 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -147.99 178.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.345 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -151.03 129.27 11.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.452 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.54 158.89 15.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.222 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -143.11 156.85 44.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.358 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -89.42 141.17 28.8 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.177 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -152.96 122.88 6.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.898 0.38 . . . . 1.0 110.314 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.77 -136.65 44.1 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.757 -0.937 . . . . 1.0 110.757 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.447 ' CD ' ' N ' ' A' ' 76' ' ' GLN . 27.5 mp0 -99.88 19.71 15.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.729 0.3 . . . . 1.0 110.737 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.7 p -147.6 170.64 17.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.045 0.45 . . . . 1.0 110.901 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.6 mtt -118.83 149.68 41.12 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.76 -0.654 . . . . 1.0 110.102 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.7 pt -137.73 161.56 33.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.875 0.369 . . . . 1.0 110.372 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 21.2 m-85 -125.59 158.09 35.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.488 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.0 m -158.31 -174.56 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.27 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 84' ' ' ASP . 3.2 pp -95.7 161.31 14.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.141 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 33.6 t70 -58.65 -120.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.428 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.449 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 12.0 m-20 -85.22 -139.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.327 . . . . 1.0 110.347 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.0 mt -108.21 -21.32 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.046 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -49.53 -35.45 20.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.736 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 88' ' ' ALA . 30.7 m -65.73 -47.23 86.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.401 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.524 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -55.57 -23.19 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.383 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.3 m -78.49 -33.84 47.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.552 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 mmt -59.92 -31.23 69.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.477 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.76 -52.27 15.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.462 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.87 -62.8 1.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.596 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -41.9 -34.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.391 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.95 -64.44 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 1.0 110.884 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.5 pt -65.66 -7.27 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.581 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -77.39 -45.46 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.44 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -78.52 -14.7 59.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.343 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.25 -5.16 53.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.645 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.516 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 58.4 t30 -163.72 177.2 8.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.978 0.418 . . . . 1.0 110.922 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 99' ' ' ASN . 29.7 m80 -162.85 69.12 1.95 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.269 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.52 -174.62 2.25 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.582 2.188 . . . . 1.0 112.238 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.436 ' NZ ' ' CB ' ' A' ' 102' ' ' LYS . 2.9 ttmp? -157.77 138.13 12.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.52 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--O 1.22 -0.447 0 CA-C-O 117.948 -1.025 . . . . 1.0 110.658 -179.453 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.473 ' N ' HD22 ' B' ' 9' ' ' ASN . 2.3 m120 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t -56.26 -14.94 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.671 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -64.73 -64.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.819 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.508 HG23 ' N ' ' B' ' 13' ' ' LEU . 11.1 t -72.53 -44.64 61.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.87 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.508 ' N ' HG23 ' B' ' 12' ' ' THR . 3.7 mm? -45.47 -25.14 0.39 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.993 -0.373 . . . . 1.0 109.993 178.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.432 ' OE2' ' NH1' ' B' ' 15' ' ' ARG . 31.2 tt0 -75.24 -55.25 5.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.667 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.442 ' CD ' ' N ' ' B' ' 15' ' ' ARG . 10.3 mpt_? -60.61 -40.03 90.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.816 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -51.78 -17.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.027 -0.269 . . . . 1.0 111.194 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 52.4 p -91.29 -34.63 14.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.695 0.283 . . . . 1.0 110.881 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -74.61 -19.25 60.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.654 -176.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 pt -75.7 -30.16 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.948 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -77.93 -55.35 5.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 1.0 110.465 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -47.74 -32.15 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.951 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.48 -25.06 68.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 1.0 110.649 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.0 mt -93.35 9.44 36.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.126 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.02 -79.79 0.07 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.345 -0.702 . . . . 1.0 111.345 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.69 132.92 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 1.0 111.275 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -74.01 -29.38 61.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.808 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.423 HD22 HD22 ' B' ' 49' ' ' LEU . 14.7 t-20 -55.96 -42.72 76.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.551 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.539 HH12 ' CG ' ' B' ' 59' ' ' GLN . 92.8 mtt-85 -65.55 -35.89 82.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.006 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.95 -27.03 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.08 -177.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -73.13 -35.66 66.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.903 0.382 . . . . 1.0 110.253 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 75.5 mt -66.22 -49.88 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.593 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 11.4 mmt -54.04 -29.58 44.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.593 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.3 -47.59 76.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.355 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 32.0 tp -50.49 -36.5 34.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.052 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 22.4 mt -63.39 -37.85 88.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.822 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -56.84 -32.13 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.713 0.292 . . . . 1.0 110.892 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 20.2 t -76.2 -48.31 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.818 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -179.91 146.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.574 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.605 ' H ' ' CD ' ' B' ' 39' ' ' GLU . 5.0 mp0 -49.63 159.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.529 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.73 146.15 24.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.429 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 33.8 t -79.53 162.88 25.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.548 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 44.1 t -52.03 -53.05 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.51 -28.35 73.51 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.405 -0.678 . . . . 1.0 111.405 -178.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -71.55 -37.69 71.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 1.0 110.945 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.41 HG22 ' O ' ' B' ' 45' ' ' ILE . 95.7 mt -68.28 -15.42 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.502 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -61.48 -33.54 73.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.788 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -60.13 -11.62 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.546 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -89.06 -57.52 2.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.887 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.423 HD22 HD22 ' B' ' 27' ' ' ASN . 11.6 mt -82.89 -29.48 29.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.842 -178.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 11.3 m120 59.52 87.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.387 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 tp -174.11 -146.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 67.6 m -80.85 136.56 36.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 1.0 110.336 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -61.53 -37.82 85.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.716 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 62.8 m -62.6 -16.63 57.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.721 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -64.57 -44.29 91.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.757 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 95.9 t -77.13 -34.65 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.816 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.3 p -60.21 -42.69 95.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.46 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -71.97 -39.65 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.728 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.539 ' CG ' HH12 ' B' ' 28' ' ' ARG . 12.4 tt0 -75.1 -27.46 59.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 1.0 111.051 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.39 -36.44 82.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.056 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -77.17 -34.24 56.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.637 -177.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.33 -33.46 71.15 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.409 -0.517 . . . . 1.0 110.37 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 36.0 mt -75.59 -19.88 58.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 1.0 110.114 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -69.06 -12.29 61.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.402 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.454 ' C ' ' H ' ' B' ' 67' ' ' HIS . 75.0 m -77.14 -46.74 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.118 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.431 ' H ' HG22 ' B' ' 66' ' ' VAL . 5.3 m -72.38 15.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.85 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.454 ' H ' ' C ' ' B' ' 65' ' ' SER . 4.4 m-70 72.19 9.79 5.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 1.0 112.114 176.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.579 ' O ' HG22 ' B' ' 69' ' ' VAL . 9.7 mp -100.95 160.16 14.6 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 108.747 -0.834 . . . . 1.0 108.747 174.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.579 HG22 ' O ' ' B' ' 68' ' ' LEU . 15.3 m 55.89 140.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 O-C-N 123.82 0.7 . . . . 1.0 111.802 -175.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -156.83 139.47 15.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.549 -0.75 . . . . 1.0 109.481 -178.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.91 158.37 16.33 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.152 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -136.79 155.61 49.59 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.445 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -91.3 117.47 29.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.492 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -140.18 100.55 3.93 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.221 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 54.48 58.55 12.69 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.149 -0.781 . . . . 1.0 111.149 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 52.79 9.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.689 0.281 . . . . 1.0 110.941 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.462 ' H ' ' C ' ' B' ' 75' ' ' GLY . 4.9 m -118.47 120.0 36.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.275 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.577 ' N ' ' SD ' ' B' ' 78' ' ' MET . 2.0 mpt? -83.4 120.01 25.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.024 -179.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 21.5 mm -103.99 127.86 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.111 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' B' ' 81' ' ' SER . 2.5 t80 -105.64 141.1 37.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.999 0.428 . . . . 1.0 110.031 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.544 ' N ' ' CD1' ' B' ' 80' ' ' TYR . 16.3 p -159.8 -172.06 3.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.216 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 16.0 mt -57.71 -161.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.579 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -122.98 -31.38 3.64 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.249 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.418 ' CG ' ' H ' ' B' ' 85' ' ' ILE . 33.2 t0 -172.81 178.79 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.407 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.418 ' H ' ' CG ' ' B' ' 84' ' ' ASP . 15.5 tt -67.99 -16.07 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.677 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -67.93 -30.29 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.844 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 63.3 t -80.79 -37.75 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.036 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.07 94.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.97 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.419 ' O ' ' N ' ' B' ' 93' ' ' GLN . 72.5 p -73.62 -46.84 44.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.941 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 23.6 ttt -45.15 -43.15 9.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.963 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 28.4 tp -67.21 -41.62 85.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.998 0.428 . . . . 1.0 110.371 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -79.26 -15.39 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.061 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 89' ' ' THR . 7.6 tt0 -84.25 -31.59 24.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.802 0.334 . . . . 1.0 110.382 179.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.75 -49.78 49.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.452 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 6.9 mm -61.9 -19.33 21.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.078 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -68.97 -51.89 34.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.264 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -72.2 -13.88 61.65 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.824 -0.35 . . . . 1.0 110.908 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.36 -40.81 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.263 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.484 ' CG ' ' H ' ' B' ' 100' ' ' HIS . 64.9 t30 -172.03 179.1 2.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.766 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.484 ' H ' ' CG ' ' B' ' 99' ' ' ASN . 49.9 m-70 -153.64 67.9 6.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.799 -0.637 . . . . 1.0 109.996 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -43.25 111.17 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.827 2.352 . . . . 1.0 112.652 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -78.38 112.33 15.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.212 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.63 -179.105 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.271 -0.641 . . . . 1.0 109.271 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.8 p -82.45 -31.65 29.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.559 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.67 -46.22 59.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.736 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -62.81 -60.76 3.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.475 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.8 tp -47.36 -23.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.48 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -84.01 -50.97 7.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.619 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.6 ttt180 -49.79 -55.93 12.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.924 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 17' ' ' THR . 31.1 m -44.0 -40.53 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.194 -178.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.422 ' N ' HG23 ' A' ' 16' ' ' VAL . 28.5 m -55.95 -42.54 76.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.322 . . . . 1.0 110.746 -179.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.21 -18.9 65.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.878 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.4 mt -85.14 -32.18 7.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.987 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -79.05 -13.05 60.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.125 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -92.62 -30.52 15.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.718 0.294 . . . . 1.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.11 -8.98 13.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.909 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 24' ' ' GLY . 15.7 mt -80.42 -11.92 59.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.838 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -55.72 -162.78 0.02 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 57.68 92.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.907 0.384 . . . . 1.0 110.922 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.431 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 45.3 p90 -52.68 -39.71 62.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' N ' ' CD2' ' A' ' 26' ' ' TYR . 8.4 p30 -58.86 -36.7 75.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.018 -178.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -65.66 -30.92 71.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.6 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.19 -31.78 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.789 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.409 ' NH2' ' CD2' ' A' ' 49' ' ' LEU . 56.1 mtm180 -64.53 -33.21 75.38 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.883 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.694 ' N ' HD12 ' A' ' 31' ' ' ILE . 1.6 mp -79.53 -20.7 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.825 -0.435 . . . . 1.0 109.825 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.3 ttt -71.08 -39.9 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.641 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.99 -24.93 58.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.45 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.2 tp -71.96 -60.22 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.438 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -54.46 -19.77 6.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.754 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -68.15 -50.48 54.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.943 0.401 . . . . 1.0 110.55 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.35 -40.62 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.748 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.5 m -172.79 148.95 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.793 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -56.48 165.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.174 178.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.41 150.4 23.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 1.0 110.962 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 m -93.07 156.78 16.66 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.868 177.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -45.92 -50.38 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.864 0.364 . . . . 1.0 111.199 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.95 -27.01 59.04 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 116.183 -0.462 . . . . 1.0 112.059 -176.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.407 ' N ' ' CD2' ' A' ' 44' ' ' HIS . 60.5 m170 -70.28 -29.0 65.66 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.787 -0.365 . . . . 1.0 111.309 -177.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.676 ' N ' HD12 ' A' ' 45' ' ' ILE . 1.9 mp -66.06 -31.53 54.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.319 -178.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 50' ' ' ASN . 91.1 p -47.46 -38.0 12.82 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.863 -0.335 . . . . 1.0 111.073 -178.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -60.06 -21.26 61.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.834 0.349 . . . . 1.0 110.851 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.463 ' N ' ' CD ' ' A' ' 48' ' ' GLN . 2.8 mp0 -95.74 -57.13 2.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.359 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.409 ' CD2' ' NH2' ' A' ' 30' ' ' ARG . 13.9 mt -88.5 -46.69 8.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.587 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 46' ' ' SER . 17.3 t30 63.86 23.56 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.682 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.2 mt -99.4 -153.74 0.45 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.269 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.0 m -73.89 132.92 42.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -65.38 -35.98 82.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.627 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -57.81 -22.36 47.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.595 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -68.06 -41.55 81.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.498 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.57 -40.43 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.615 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 m -60.63 -57.78 11.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.427 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -54.13 -41.4 68.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.536 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -67.87 -54.58 17.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.7 tp -57.27 -30.4 64.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.335 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -59.87 -34.77 73.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.255 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.9 tt -64.88 -57.37 9.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.072 179.223 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.0 mt -53.61 -40.22 65.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.523 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -53.19 -31.99 45.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.46 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.435 ' C ' ' H ' ' A' ' 67' ' ' HIS . 15.9 t -74.57 -37.06 63.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.427 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.531 ' O ' ' CG ' ' A' ' 67' ' ' HIS . 2.5 t -77.03 15.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.48 . . . . 1.0 110.128 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 66' ' ' VAL . 31.7 p80 42.84 15.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.68 -0.691 . . . . 1.0 111.65 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -71.08 -12.71 61.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.087 0.47 . . . . 1.0 109.832 -179.62 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.8 m -140.41 161.52 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.715 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -144.97 156.27 43.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.02 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -147.39 175.36 10.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.832 0.349 . . . . 1.0 110.345 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -142.01 155.36 45.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.319 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -87.79 129.93 35.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.62 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 77' ' ' SER . 63.0 mt-30 -147.09 137.81 23.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.154 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 76' ' ' GLN . . . -48.54 141.2 9.69 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.61 -0.996 . . . . 1.0 110.61 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 8.6 tt0 95.71 -54.83 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.5 0.72 . . . . 1.0 110.713 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 74' ' ' GLN . 53.3 m -162.4 -179.07 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.173 0.511 . . . . 1.0 111.476 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.502 ' O ' ' CE1' ' A' ' 80' ' ' TYR . 8.8 ttt -108.54 111.41 23.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.159 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.4 mm -81.47 133.7 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.084 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.502 ' CE1' ' O ' ' A' ' 78' ' ' MET . 48.6 m-85 -110.88 143.19 41.88 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.002 -0.545 . . . . 1.0 109.901 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.516 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 26.5 t -157.33 -173.83 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.869 0.366 . . . . 1.0 110.81 -179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.516 ' N ' ' OG ' ' A' ' 81' ' ' SER . 34.0 mt -75.18 170.42 16.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.63 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -78.76 -55.36 5.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.347 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.527 ' OD2' ' ND1' ' A' ' 86' ' ' HIS . 6.3 p-10 -158.25 -71.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.544 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.475 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 19.4 tt -167.81 -27.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.966 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.527 ' ND1' ' OD2' ' A' ' 84' ' ' ASP . 35.4 m170 -49.84 -28.37 6.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.85 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 88' ' ' ALA . 33.0 m -75.17 -39.55 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.74 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -68.86 -14.93 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.772 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 m -77.5 -63.3 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.852 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.6 tpp -51.71 -33.46 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.941 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.8 tp -59.49 -59.18 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.499 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 94' ' ' ALA . 66.5 mttm -61.75 -61.28 2.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.139 -178.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -40.41 -24.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.647 -177.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -75.37 -64.55 1.04 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.883 0.373 . . . . 1.0 110.912 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.5 mm -55.77 -26.88 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.947 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' HIS . 43.4 m80 -79.39 -35.92 40.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.118 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -52.81 -62.1 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.618 -0.433 . . . . 1.0 110.568 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.88 -37.82 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.158 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -158.82 84.54 0.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.618 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 96' ' ' HIS . 1.6 p-80 -79.44 153.38 76.34 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.959 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' GLU . 94.7 Cg_endo -75.46 140.29 24.08 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 121.999 1.799 . . . . 1.0 111.841 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -49.49 92.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.742 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 101' ' ' PRO . 39.8 tt0 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.963 -1.018 . . . . 1.0 110.678 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' B' ' 11' ' ' ASP . 40.8 m-20 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 68.8 p -42.87 -18.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.024 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' B' ' 9' ' ' ASN . 45.8 m-20 -78.65 -63.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.465 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 71.5 p -57.15 -18.03 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.606 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 16.6 tp -68.83 -58.34 4.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.289 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -52.96 -20.43 3.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.838 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -74.23 -35.81 63.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.991 0.424 . . . . 1.0 109.962 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.437 ' O ' HG22 ' B' ' 19' ' ' ILE . 91.9 t -65.34 -18.94 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.731 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.9 m -91.24 -29.78 17.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.691 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -77.74 -13.35 59.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.17 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.437 HG22 ' O ' ' B' ' 16' ' ' VAL . 10.5 tt -70.67 -39.74 76.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.684 -0.407 . . . . 1.0 110.347 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -75.59 -60.75 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.664 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -47.52 -37.63 12.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.974 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -22.29 62.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.754 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' B' ' 25' ' ' ASP . 6.6 tp -84.9 -6.97 59.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.261 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.93 82.31 0.01 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' B' ' 23' ' ' LEU . 26.7 t0 -171.87 101.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.734 0.302 . . . . 1.0 110.312 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -46.44 -67.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.196 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -41.36 -32.36 0.3 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.676 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -72.58 -31.3 65.12 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.893 -0.323 . . . . 1.0 111.255 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 46.4 mt -66.33 -32.24 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.878 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -73.1 -31.59 64.42 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.837 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 72.8 mt -76.33 -40.59 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.735 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 70.6 mmm -67.22 -18.09 65.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.642 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -76.07 -70.26 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.995 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 pp -52.31 -25.7 10.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.089 -178.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.502 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -74.98 -43.76 52.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.723 -0.473 . . . . 1.0 109.723 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 46.2 p -48.32 -43.07 32.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.337 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 25.3 t -54.0 -64.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.325 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 23.5 p -148.73 173.4 13.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.534 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -76.12 168.04 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.375 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.13 154.75 29.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.47 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 28.0 t -89.15 161.88 16.24 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.094 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.518 ' O ' HG22 ' B' ' 45' ' ' ILE . 77.4 t -57.63 -57.32 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.87 -0.332 . . . . 1.0 110.393 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.41 -23.64 60.51 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 120.877 -0.677 . . . . 1.0 111.784 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -75.83 -30.99 59.18 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.879 0.326 . . . . 1.0 111.879 -176.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.518 HG22 ' O ' ' B' ' 42' ' ' VAL . 7.9 tt -58.7 -18.65 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.541 -0.464 . . . . 1.0 110.067 -178.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.527 ' O ' ' N ' ' B' ' 50' ' ' ASN . 79.2 p -58.8 -41.55 87.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.537 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -51.71 -27.14 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.187 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -87.32 -51.95 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.524 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' B' ' 51' ' ' LEU . 28.0 mt -133.47 62.69 1.65 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.189 -0.46 . . . . 1.0 109.933 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 46' ' ' SER . 46.0 t30 -50.38 84.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.311 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' B' ' 49' ' ' LEU . 32.2 mt -135.86 -155.17 0.61 Allowed 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.183 -0.673 . . . . 1.0 109.183 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.8 p -63.79 127.77 32.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.787 0.327 . . . . 1.0 110.291 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.536 ' H ' ' CD ' ' B' ' 53' ' ' GLN . 22.6 mp0 -69.51 -55.71 9.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.895 -178.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.0 p -43.49 -24.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.006 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.11 -42.69 98.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.616 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 15.3 t -75.33 -34.74 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.692 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 27.7 t -56.49 -37.97 71.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.878 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -79.61 -63.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.552 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -46.77 -39.69 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.874 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.04 -34.9 79.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.451 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -61.74 -28.85 69.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.885 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 24.2 tp -64.78 -47.41 78.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.302 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.58 ' N ' HD12 ' B' ' 63' ' ' LEU . 9.1 mp -60.28 -35.33 75.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.205 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -77.89 -10.23 59.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.537 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.4 t -66.47 -60.94 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 1.0 111.595 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 57.4 t -66.45 -72.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.679 -0.409 . . . . 1.0 111.398 -175.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' B' ' 67' ' ' HIS . 5.5 t60 -176.6 8.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.863 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.57 ' N ' HD12 ' B' ' 68' ' ' LEU . 9.5 mp -97.96 141.84 30.43 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.85 -0.426 . . . . 1.0 109.85 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.427 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 7.5 t 65.7 151.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 1.0 110.609 -177.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -149.73 175.33 11.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.767 -0.651 . . . . 1.0 109.941 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -152.07 116.82 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.023 0.44 . . . . 1.0 110.704 -179.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -112.51 123.8 51.09 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.943 -0.571 . . . . 1.0 109.821 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -59.6 133.47 56.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.448 0.642 . . . . 1.0 111.416 -173.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -153.81 138.73 17.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.987 -1.006 . . . . 1.0 110.148 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.27 -141.25 41.3 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -100.6 23.23 10.66 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.584 0.23 . . . . 1.0 110.925 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 50.2 p -152.08 169.68 21.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.914 0.388 . . . . 1.0 110.957 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 60.5 mtp -103.64 103.43 13.36 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.34 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.648 ' N ' HD12 ' B' ' 79' ' ' ILE . 1.5 mp -78.4 131.28 34.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 1.0 109.862 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -106.81 140.57 39.43 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.31 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -148.8 174.47 12.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.582 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.87 179.79 2.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.94 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' B' ' 67' ' ' HIS . 1.2 m-20 -81.48 -50.32 9.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.547 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.444 ' O ' HG23 ' B' ' 85' ' ' ILE . 56.9 m-20 -158.08 -76.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.701 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.444 HG23 ' O ' ' B' ' 84' ' ' ASP . 21.2 pt -157.26 -15.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.935 -178.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -57.68 -77.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.429 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.5 m -44.83 -27.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.611 -174.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.93 -50.79 63.14 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.753 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 77.6 m -65.54 -45.04 84.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.994 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 58.4 mtt -41.35 -55.88 2.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.377 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 34.2 mt -53.2 -57.47 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.726 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.404 ' CB ' ' NZ ' ' B' ' 92' ' ' LYS . 7.3 mtmp? -67.91 -14.06 62.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.194 -178.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -83.83 -25.56 30.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.546 -0.297 . . . . 1.0 110.84 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.49 -66.28 0.68 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.12 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 12.9 pt -58.58 -19.41 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.795 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -69.93 -41.28 74.81 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.336 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -50.84 -49.7 58.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.44 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.72 -63.02 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.53 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.525 ' O ' ' ND1' ' B' ' 100' ' ' HIS . 62.3 t30 -63.76 177.79 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.569 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' B' ' 99' ' ' ASN . 19.1 m-70 -155.63 151.37 22.06 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.139 -0.482 . . . . 1.0 109.749 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.83 -48.69 0.12 Allowed 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 121.939 1.759 . . . . 1.0 112.224 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -159.61 159.58 33.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.781 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.673 179.79 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.9 p30 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.454 -0.572 . . . . 1.0 109.454 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.5 p -76.81 -18.68 58.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.566 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.6 p30 -67.59 -23.22 65.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.68 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.7 p -58.62 -40.86 84.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.789 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -72.59 -49.54 31.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 1.0 109.978 -179.757 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -64.75 -16.67 63.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.561 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -81.71 -70.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.643 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.514 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 27.5 m -40.47 -30.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.447 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -65.63 -50.89 63.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.983 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -59.62 -25.52 64.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.147 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.3 mm -67.94 -63.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.982 -0.287 . . . . 1.0 110.971 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CE2' ' O ' ' A' ' 16' ' ' VAL . 9.1 m-85 -49.74 -58.27 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.672 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -43.13 -41.43 3.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.205 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.42 -25.54 65.97 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.623 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 20' ' ' PHE . 6.0 tp -78.9 -4.44 49.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.448 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.65 85.1 0.2 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.339 -0.704 . . . . 1.0 111.339 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 10.5 t70 -173.59 150.78 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.712 0.291 . . . . 1.0 110.315 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -88.8 -71.47 0.59 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.064 0.459 . . . . 1.0 111.208 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -48.66 -18.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.646 -0.707 . . . . 1.0 111.44 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.454 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 11.7 tpp85 -71.77 -34.07 69.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.862 0.363 . . . . 1.0 110.088 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.7 mm -67.72 -34.64 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.742 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 tpp85 -74.01 -34.52 64.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.508 -0.315 . . . . 1.0 110.82 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.6 mt -74.06 -24.53 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.517 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 tpt -81.15 -35.75 31.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.521 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -64.33 -32.42 74.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.598 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.3 tp -71.79 -63.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.543 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.1 mt -45.84 -25.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.795 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 t -65.75 -52.05 54.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.824 0.345 . . . . 1.0 110.379 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.58 -59.68 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.528 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.8 m -151.47 136.83 17.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.889 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.609 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 10.7 pm0 -75.18 156.52 35.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.859 -0.609 . . . . 1.0 109.997 178.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.31 -177.58 6.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.913 0.387 . . . . 1.0 110.783 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.2 p -87.15 150.99 23.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.389 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.538 HG13 ' N ' ' A' ' 43' ' ' GLY . 12.9 p -49.56 -44.65 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.007 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.538 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -60.44 -18.97 52.44 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.289 -0.724 . . . . 1.0 111.289 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -77.0 -20.3 56.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.785 0.326 . . . . 1.0 110.755 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 45' ' ' ILE . 1.5 mp -75.23 -29.5 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 1.0 109.938 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 50' ' ' ASN . 55.1 p -44.32 -47.92 9.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 1.0 111.207 -178.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.409 ' ND1' ' N ' ' A' ' 47' ' ' HIS . 2.5 m80 -51.01 -14.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.13 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -92.89 -57.27 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.565 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.38 -46.51 7.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.741 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 46' ' ' SER . 56.8 t-20 56.88 82.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.203 -178.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.47 ' C ' HD23 ' A' ' 51' ' ' LEU . 2.0 tt -151.21 -69.65 0.17 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.399 -178.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 m -157.78 127.59 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.055 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -67.35 -26.53 66.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.521 -0.308 . . . . 1.0 111.035 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -81.59 -30.41 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.89 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.35 -44.68 67.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.968 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 m -71.88 -33.39 47.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.528 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.9 m -62.99 -54.19 42.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.179 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -43.83 -39.09 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.824 -0.625 . . . . 1.0 111.014 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -59.18 -55.83 29.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.495 -0.32 . . . . 1.0 111.441 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 60' ' ' LEU . 10.1 mp -52.23 -20.06 2.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.89 -177.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -72.46 -39.96 67.37 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.524 -0.47 . . . . 1.0 110.316 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.496 ' N ' HD22 ' A' ' 62' ' ' LEU . 3.2 mm? -67.11 -37.66 84.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.057 -0.349 . . . . 1.0 110.057 178.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.436 HD11 ' NH1' ' A' ' 28' ' ' ARG . 13.9 mt -73.7 -30.86 63.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.668 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -75.29 -12.39 60.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.281 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.7 m -85.26 -34.74 21.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.079 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.7 t -72.32 -72.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.86 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.413 ' H ' ' H ' ' A' ' 68' ' ' LEU . 6.6 t60 -176.5 -4.93 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.242 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 63' ' ' LEU . 21.3 mt -110.11 159.12 17.61 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.74 0.305 . . . . 1.0 110.537 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 t 67.49 128.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.679 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -149.36 161.78 41.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.684 -0.689 . . . . 1.0 109.854 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -155.96 160.41 40.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.924 0.392 . . . . 1.0 110.876 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -141.56 127.89 19.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.841 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -60.66 152.04 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.268 0.556 . . . . 1.0 111.29 -175.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -152.9 108.75 3.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.397 -0.82 . . . . 1.0 110.548 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.42 -105.29 1.62 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.084 -0.806 . . . . 1.0 111.084 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.466 ' CD ' ' N ' ' A' ' 76' ' ' GLN . 2.1 mp0 -126.41 18.23 7.57 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.822 0.344 . . . . 1.0 110.408 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.2 m -147.27 162.86 38.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.263 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -114.55 138.01 51.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.468 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 79' ' ' ILE . 19.6 mt -110.52 138.18 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.554 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -109.33 140.94 42.37 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.29 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 82' ' ' LEU . 87.1 p -158.25 -172.63 3.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.81 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 81' ' ' SER . 24.7 mt -59.01 -150.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.753 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -155.17 -26.46 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.837 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 9.2 t70 -164.53 158.12 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.482 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.483 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 29.6 pt -79.02 12.05 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.783 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.476 ' C ' ' H ' ' A' ' 88' ' ' ALA . 30.9 m80 -77.3 -75.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.988 0.423 . . . . 1.0 110.647 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.3 m -48.22 -10.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.539 . . . . 1.0 111.371 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' A' ' 86' ' ' HIS . . . -61.56 -62.06 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 1.0 110.737 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.0 t -66.83 -29.21 69.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.587 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.2 ttt -57.27 -40.79 78.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.461 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -61.16 -47.86 84.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.186 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -62.83 -57.35 11.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.535 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -40.67 -34.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.586 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.47 -46.79 75.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.869 0.366 . . . . 1.0 110.445 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.8 mm -70.72 -14.65 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.288 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.87 -58.96 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.758 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -62.29 -21.89 65.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 1.0 110.262 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.56 94.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.41 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -69.66 -120.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.199 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.3 m80 51.66 62.37 11.06 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.674 0.273 . . . . 1.0 110.686 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 102' ' ' LYS . 87.1 Cg_endo -77.49 -43.92 0.21 Allowed 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.537 2.158 . . . . 1.0 112.055 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 101' ' ' PRO . 61.8 mmtt 52.38 103.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.542 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.987 -1.006 . . . . 1.0 110.58 179.942 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 32.7 m120 . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.337 -0.616 . . . . 1.0 109.337 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.6 m -86.38 -39.2 16.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.525 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -64.72 -35.79 82.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.495 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.7 m -71.79 -32.44 67.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.438 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.48 -20.66 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.103 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -83.25 -49.45 9.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.506 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' B' ' 18' ' ' GLU . 45.8 ttt85 -54.17 -55.4 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.259 -178.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.5 m -41.37 -28.55 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.365 -178.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.5 p -76.58 -41.14 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.663 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' B' ' 15' ' ' ARG . 29.8 mt-10 -62.18 -22.08 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.987 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 16.1 mt -67.72 -69.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.677 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -43.73 -60.54 1.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.269 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -43.54 -36.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.404 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.93 -25.18 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.506 -0.315 . . . . 1.0 111.428 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.584 ' N ' HD12 ' B' ' 23' ' ' LEU . 9.4 mp -78.47 0.75 24.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.086 -0.246 . . . . 1.0 110.668 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' B' ' 25' ' ' ASP . . . -64.71 -162.27 0.64 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' B' ' 24' ' ' GLY . 1.6 m-20 54.23 107.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 1.0 110.669 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -57.39 -18.73 19.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.868 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -82.13 -42.37 19.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.281 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -72.59 -34.21 67.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.294 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 tt -73.01 -32.36 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.287 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -67.6 -30.23 69.77 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.647 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -70.33 -51.23 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.433 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 31.5 ttm -46.54 -36.56 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.661 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -73.15 -30.53 63.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.997 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 25.4 tp -73.09 -44.95 59.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.528 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.556 ' N ' HD12 ' B' ' 35' ' ' LEU . 9.9 mp -74.17 -18.53 60.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.128 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -63.81 -54.96 26.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.638 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.98 -37.3 79.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.736 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 55.5 m -165.53 130.62 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.8 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.619 ' H ' ' CD ' ' B' ' 39' ' ' GLU . 1.4 pm0 -66.97 155.0 39.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.705 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.5 168.47 27.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.706 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 28.3 p -85.35 156.51 20.86 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.697 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.483 HG23 ' N ' ' B' ' 43' ' ' GLY . 35.3 m -48.17 -43.12 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.348 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.483 ' N ' HG23 ' B' ' 42' ' ' VAL . . . -67.44 -38.37 90.91 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 121.132 -0.556 . . . . 1.0 112.019 -176.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -67.84 -33.85 75.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 1.0 111.405 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 32.1 pt -80.79 -13.65 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.695 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.462 ' C ' ' N ' ' B' ' 48' ' ' GLN . 16.2 m -50.23 -28.98 8.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.591 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.22 -11.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.25 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.462 ' N ' ' C ' ' B' ' 46' ' ' SER . 14.4 mm100 -94.12 -52.45 4.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.027 177.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.569 HD12 ' N ' ' B' ' 49' ' ' LEU . 9.8 mp -86.87 -64.89 1.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.236 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 66.38 25.83 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.991 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -91.31 -70.44 0.68 Allowed 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.6 m -158.87 132.0 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 1.0 109.937 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -54.11 -21.71 9.26 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.679 -0.408 . . . . 1.0 110.646 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 85.9 p -81.43 -24.83 36.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.481 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -77.5 -44.37 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.806 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.443 HG13 ' N ' ' B' ' 57' ' ' SER . 11.7 p -67.16 -38.51 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.647 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.443 ' N ' HG13 ' B' ' 56' ' ' VAL . 66.6 m -58.62 -66.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.389 . . . . 1.0 110.495 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -40.59 -30.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 1.0 111.244 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -70.97 -55.39 8.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.744 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 28.3 mt -54.49 -29.55 50.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.478 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -67.41 -35.13 78.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.795 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.524 HD23 ' O ' ' B' ' 62' ' ' LEU . 1.0 OUTLIER -67.04 -32.96 74.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.1 0.476 . . . . 1.0 110.039 -179.359 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.96 -26.04 63.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.1 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -69.89 -27.89 65.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.493 -0.321 . . . . 1.0 110.964 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.6 m -66.89 -41.18 87.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.179 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.468 ' C ' ' ND1' ' B' ' 67' ' ' HIS . 14.5 m -75.98 15.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.331 -177.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.468 ' ND1' ' C ' ' B' ' 66' ' ' VAL . 8.2 m80 71.09 10.39 6.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.504 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 36.1 mt -109.4 153.71 23.6 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 110.035 -0.358 . . . . 1.0 110.035 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.8 t 62.78 141.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.761 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -164.08 135.05 4.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.559 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.94 171.74 7.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.372 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -148.29 162.71 38.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.479 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -89.7 145.17 25.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.681 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -148.43 106.19 3.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.382 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.23 -95.91 0.04 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.472 ' N ' ' CD ' ' B' ' 76' ' ' GLN . 0.5 OUTLIER -133.88 12.69 4.0 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.794 0.331 . . . . 1.0 110.246 -179.469 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -130.02 135.76 48.64 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.458 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' B' ' 78' ' ' MET . 4.4 mpp? -103.89 145.68 29.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.881 -0.599 . . . . 1.0 110.19 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 pt -138.53 158.24 30.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -110.89 142.95 42.27 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.466 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' B' ' 82' ' ' LEU . 8.7 t -147.95 175.44 10.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.01 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.436 ' N ' ' OG ' ' B' ' 81' ' ' SER . 3.4 pp -162.75 -22.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.916 -178.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 20.2 p-10 -58.78 99.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.177 -177.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -110.05 17.65 20.83 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.529 ' O ' ' CG ' ' B' ' 86' ' ' HIS . 10.0 mt 63.88 54.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.134 -177.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' B' ' 85' ' ' ILE . 40.6 m-70 -164.95 -27.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 92.9 t -86.0 -37.14 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.827 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.68 -42.05 87.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.857 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.452 ' O ' ' N ' ' B' ' 93' ' ' GLN . 42.2 p -69.0 -47.81 64.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.758 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 4.3 tpt -45.04 -51.94 9.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.873 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 tp -68.03 -42.29 80.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.62 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -72.66 -14.22 61.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.957 -178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' B' ' 89' ' ' THR . 59.8 tp60 -81.5 -29.8 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 1.0 110.491 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.36 -44.65 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.452 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.5 -21.4 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.394 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -46.0 63.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.756 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -78.63 -15.27 58.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.753 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.6 -52.06 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.747 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -75.54 -45.84 35.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.936 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' B' ' 101' ' ' PRO . 60.6 t60 47.42 66.79 5.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.348 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' B' ' 100' ' ' HIS . 88.0 Cg_exo -45.67 179.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.845 2.364 . . . . 1.0 112.484 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -74.88 -49.97 18.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.551 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.016 -0.992 . . . . 1.0 110.456 179.554 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.369 -0.604 . . . . 1.0 109.369 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.2 p -80.56 -23.56 39.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.76 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -80.81 -20.12 43.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 1.0 110.529 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 14' ' ' GLU . 53.1 p -74.55 -70.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.651 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.567 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.0 mp -47.2 -20.59 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.381 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 12' ' ' THR . 41.8 mm-40 -79.28 -45.65 19.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.732 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -83.38 -26.99 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.214 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.9 t -76.14 -40.5 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.624 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.6 m -68.06 -19.32 64.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.977 0.418 . . . . 1.0 110.427 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' A' ' 20' ' ' PHE . 30.6 tt0 -74.49 -69.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.339 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.4 pt -35.81 -25.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.987 -0.551 . . . . 1.0 112.248 -174.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' GLU . 51.9 m-85 -76.11 -70.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.515 -0.474 . . . . 1.0 109.885 177.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -51.35 -23.58 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.833 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.58 -19.03 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.026 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.567 ' N ' HD22 ' A' ' 23' ' ' LEU . 3.1 mm? -89.43 12.17 17.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.347 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.81 -79.76 0.07 OUTLIER Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.03 135.42 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 1.0 110.807 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -72.94 -30.35 63.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.764 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.427 ' ND2' HD21 ' A' ' 49' ' ' LEU . 15.0 t-20 -49.62 -44.83 47.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.693 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -66.09 -38.54 88.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 1.0 111.142 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mt -59.51 -28.81 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.951 -178.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -69.17 -35.11 75.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.743 -0.208 . . . . 1.0 111.274 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.592 ' N ' HD12 ' A' ' 31' ' ' ILE . 1.4 mp -81.15 -16.35 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.0 tpt -81.82 -39.86 23.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 1.0 110.62 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' OG ' ' A' ' 36' ' ' SER . 14.3 pt-20 -80.68 -41.88 22.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.014 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.465 ' C ' HD13 ' A' ' 34' ' ' LEU . 0.4 OUTLIER -67.86 -67.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.447 -178.596 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 38' ' ' SER . 8.2 tp -46.84 -48.9 20.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.861 -177.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 33' ' ' GLU . 30.3 p -43.06 -40.18 3.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.032 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.19 -34.87 73.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.564 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 35' ' ' LEU . 40.0 m -167.23 137.58 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.533 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.93 158.42 19.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.143 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.33 164.92 37.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.985 0.421 . . . . 1.0 111.412 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.8 p -108.52 163.52 13.16 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.768 -0.651 . . . . 1.0 109.814 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.4 t -46.53 -46.3 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.69 0.281 . . . . 1.0 111.226 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.02 -53.46 40.04 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 121.385 -0.436 . . . . 1.0 112.042 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -60.8 -31.59 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.978 0.362 . . . . 1.0 111.978 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 48' ' ' GLN . 54.6 mt -71.93 -31.09 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.319 -0.552 . . . . 1.0 110.481 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -43.8 -19.58 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.84 0.353 . . . . 1.0 110.856 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' ILE . 11.9 m-70 -91.21 -30.2 16.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.734 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 45' ' ' ILE . 81.3 mt-30 -92.33 -58.36 2.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.022 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.427 HD21 ' ND2' ' A' ' 27' ' ' ASN . 16.1 tp -173.83 75.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.546 -0.297 . . . . 1.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 52' ' ' SER . 7.8 t30 -151.77 -15.9 0.19 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.792 -0.447 . . . . 1.0 109.792 177.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.499 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 3.1 pp -32.04 -28.62 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.822 -0.626 . . . . 1.0 111.924 -177.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 50' ' ' ASN . 31.1 t -95.44 72.38 3.21 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.991 -0.744 . . . . 1.0 108.991 173.189 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.602 ' CD ' ' H ' ' A' ' 53' ' ' GLN . 18.3 mp0 -36.81 -63.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.869 -0.605 . . . . 1.0 112.01 -175.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.3 t -42.18 -18.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.423 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 53' ' ' GLN . 8.8 t-20 -76.54 -43.51 38.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.097 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG21 ' OD1' ' A' ' 50' ' ' ASN . 83.9 t -82.05 -41.81 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.783 0.325 . . . . 1.0 110.952 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.8 t -48.89 -48.53 42.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.013 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -74.48 -25.93 59.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.619 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -68.93 -60.94 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 1.0 111.191 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.57 -23.49 40.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.475 -0.33 . . . . 1.0 111.503 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -66.11 -42.38 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.169 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.37 -58.3 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.553 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.9 mt -45.69 -39.4 7.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.747 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -57.33 -42.23 81.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.826 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.485 ' C ' ' H ' ' A' ' 67' ' ' HIS . 41.0 t -64.91 -39.07 92.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.786 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -72.59 12.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.294 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.485 ' H ' ' C ' ' A' ' 65' ' ' SER . 2.2 t60 65.52 15.19 9.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.965 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' A' ' 69' ' ' VAL . 43.1 mt -96.64 139.54 32.57 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.687 -0.486 . . . . 1.0 109.687 176.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' A' ' 68' ' ' LEU . 20.7 m 46.49 177.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.392 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -165.25 154.93 12.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.687 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.4 153.17 20.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.079 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -140.26 153.83 46.64 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.881 0.372 . . . . 1.0 110.595 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -85.27 119.87 26.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.172 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -152.8 115.85 4.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.92 0.39 . . . . 1.0 110.76 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 49.63 56.97 10.11 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.169 -0.772 . . . . 1.0 111.169 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 50.6 8.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.598 0.237 . . . . 1.0 111.23 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.49 ' H ' ' C ' ' A' ' 75' ' ' GLY . 14.3 m -123.47 144.17 49.69 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.983 -0.377 . . . . 1.0 109.983 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.4 ptt? -109.57 128.35 55.14 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.953 0.406 . . . . 1.0 110.739 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 79' ' ' ILE . 14.6 pt -133.31 161.88 40.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.446 -0.575 . . . . 1.0 109.446 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -136.28 172.75 12.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.418 0.627 . . . . 1.0 111.168 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 44.7 t -170.01 -154.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.065 -0.971 . . . . 1.0 109.378 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.468 ' N ' ' OG ' ' A' ' 81' ' ' SER . 12.0 mt -86.89 -179.05 6.45 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.086 -0.339 . . . . 1.0 110.086 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -170.21 -8.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.731 -0.388 . . . . 1.0 111.238 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -116.3 -20.01 9.94 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.822 0.344 . . . . 1.0 110.414 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.524 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 27.4 mt 47.27 73.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.755 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 29.0 m80 -161.05 -54.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.318 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.5 m -46.19 -12.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.31 -178.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . -62.85 -60.05 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.838 0.351 . . . . 1.0 110.657 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.7 p -62.32 -30.05 70.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.729 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 32.8 ttm -49.57 -47.36 49.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.676 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 26.4 mt -64.01 -41.68 97.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.717 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.79 -70.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 1.0 111.025 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -42.5 -26.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.315 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -63.03 -53.19 57.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 1.0 110.71 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.0 mm -68.8 -17.44 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.713 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.564 ' ND1' ' NE2' ' B' ' 86' ' ' HIS . 66.6 t-80 -63.47 -40.56 97.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.592 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -70.65 -63.15 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.309 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.3 -28.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.95 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -167.96 130.82 1.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.688 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -80.49 149.83 69.17 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 1.0 109.989 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.46 -45.97 0.23 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 121.889 1.726 . . . . 1.0 112.0 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.7 mttp -58.86 -90.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.621 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.951 -1.024 . . . . 1.0 110.659 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.406 ' H ' HG22 ' B' ' 10' ' ' THR . 2.2 t -86.12 -28.13 24.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.534 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 34.1 p-10 -73.52 -14.68 61.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.351 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.6 p -76.14 -59.34 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.482 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.527 ' N ' HD12 ' B' ' 13' ' ' LEU . 9.3 mp -47.0 -32.9 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.096 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -64.39 -56.19 15.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -68.08 -40.97 82.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.801 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.6 t -58.8 -17.11 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.619 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 96.1 m -85.96 -31.97 21.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 1.0 110.147 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -70.9 -20.79 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.65 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.556 HD13 ' O ' ' B' ' 19' ' ' ILE . 0.2 OUTLIER -56.32 -45.29 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.433 ' N ' ' CG2' ' B' ' 19' ' ' ILE . 29.0 m-85 -67.94 -55.86 11.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.693 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -51.2 -21.78 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.531 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -58.27 -36.59 73.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.921 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.582 ' N ' HD12 ' B' ' 23' ' ' LEU . 9.0 mp -63.97 -7.92 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 1.0 110.129 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 38.46 -127.03 1.75 Allowed Glycine 0 CA--C 1.527 0.788 0 CA-C-N 115.86 -0.609 . . . . 1.0 111.864 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -75.82 173.97 10.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.852 0.358 . . . . 1.0 110.84 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' B' ' 29' ' ' ILE . 19.4 p90 -68.99 -45.9 69.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.083 -178.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.5 ' N ' ' CD2' ' B' ' 26' ' ' TYR . 24.1 m120 -45.27 -33.84 2.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.909 0.385 . . . . 1.0 110.522 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.58 HH12 ' NE2' ' B' ' 59' ' ' GLN . 15.5 tpp180 -64.34 -34.16 77.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.251 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' B' ' 26' ' ' TYR . 43.9 mt -70.24 -28.81 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.779 -0.646 . . . . 1.0 111.095 -177.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 tpt85 -66.2 -32.11 73.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.398 . . . . 1.0 110.119 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 37.2 mt -63.14 -42.38 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.176 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 42.3 mtt -64.65 -44.97 88.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.687 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -54.7 -30.69 56.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.395 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.405 ' C ' HD13 ' B' ' 34' ' ' LEU . 0.3 OUTLIER -76.18 -62.03 1.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.178 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 34.2 mt -60.75 -6.65 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.604 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 5.8 t -81.63 -43.49 18.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.392 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 88.1 t -69.13 -24.39 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.638 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t 174.89 133.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.712 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.589 ' H ' ' CD ' ' B' ' 39' ' ' GLU . 1.3 pm0 -51.79 164.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.746 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.425 ' CB ' HE22 ' B' ' 48' ' ' GLN . . . -157.61 154.92 29.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.619 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' B' ' 42' ' ' VAL . 33.4 t -85.35 -163.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.195 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.567 ' O ' HG22 ' B' ' 45' ' ' ILE . 70.7 t -79.62 -66.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.378 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.11 -32.67 63.26 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.541 -0.624 . . . . 1.0 111.541 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -58.47 -11.13 2.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.757 0.313 . . . . 1.0 110.712 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.567 HG22 ' O ' ' B' ' 42' ' ' VAL . 11.2 tt -78.05 -34.71 19.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.659 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.6 t -46.54 -32.71 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.71 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -84.56 -18.34 35.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.847 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.425 HE22 ' CB ' ' B' ' 40' ' ' ALA . 83.2 mt-30 -84.17 -57.42 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.1 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 21.8 mt -112.85 -27.89 7.95 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.93 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 t30 58.4 79.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 1.0 110.458 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 77.3 mt -140.54 -178.6 5.58 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.086 -0.507 . . . . 1.0 109.714 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 41.2 m -66.83 132.69 48.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.463 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -62.85 -40.18 96.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.075 -178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' B' ' 58' ' ' HIS . 36.8 m -52.29 -29.92 25.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.945 0.402 . . . . 1.0 110.408 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -73.56 -32.17 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.64 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.1 t -81.64 -49.4 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.282 -178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.7 p -57.89 -42.19 84.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 1.0 110.633 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' B' ' 54' ' ' SER . 2.1 m-70 -67.7 -42.47 81.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.104 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.58 ' NE2' HH12 ' B' ' 28' ' ' ARG . 38.7 mm-40 -64.63 -57.67 8.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 1.0 111.103 -178.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 38.4 mt -46.38 -24.52 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.76 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -72.93 -43.23 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 1.0 110.621 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 22.7 mt -59.5 -35.89 75.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.699 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.17 -23.84 62.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.77 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -65.3 -21.48 66.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.439 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.44 ' C ' ' H ' ' B' ' 67' ' ' HIS . 13.3 t -71.39 -59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.714 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.405 HG23 ' H ' ' B' ' 68' ' ' LEU . 5.5 m -64.62 1.12 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.599 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.44 ' H ' ' C ' ' B' ' 65' ' ' SER . 21.2 m80 58.65 14.18 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.083 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.469 HD13 ' O ' ' B' ' 68' ' ' LEU . 0.2 OUTLIER -74.76 -14.97 60.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.568 -0.531 . . . . 1.0 109.568 -179.568 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.497 HG12 ' N ' ' B' ' 70' ' ' LYS . 87.2 t -137.94 157.88 32.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.472 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.497 ' N ' HG12 ' B' ' 69' ' ' VAL . 83.7 tttt -163.98 128.83 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.298 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.59 174.56 5.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.982 0.42 . . . . 1.0 110.621 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -149.54 168.16 24.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.104 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -75.68 135.05 40.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -149.35 78.95 1.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.322 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 59.12 52.27 54.35 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.104 -0.798 . . . . 1.0 111.104 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 73.72 -28.67 0.19 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.555 0.217 . . . . 1.0 110.983 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.459 ' H ' ' C ' ' B' ' 75' ' ' GLY . 8.8 t -81.06 128.13 33.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 1.0 110.637 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 39.1 tpp -83.29 107.11 15.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.524 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.412 ' O ' HG23 ' B' ' 79' ' ' ILE . 20.8 tt -94.02 133.1 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.719 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -110.85 143.13 41.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.379 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 27.8 t -144.98 171.07 14.97 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.53 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.413 ' C ' ' H ' ' B' ' 84' ' ' ASP . 22.0 mt -68.6 -32.44 72.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.833 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 67.56 -3.89 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.815 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' B' ' 82' ' ' LEU . 8.4 m-20 -157.82 147.84 20.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.509 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 23.8 pt -97.76 -18.92 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.477 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.564 ' NE2' ' ND1' ' A' ' 96' ' ' HIS . 32.1 m80 -51.04 -16.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.8 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 35.8 m -90.81 -27.57 4.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.564 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.17 76.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.658 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 34.4 m -77.58 -41.4 38.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.726 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 25.7 ttt -60.61 -40.35 91.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.721 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -67.96 -38.4 82.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.328 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -78.08 -9.27 59.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.783 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -88.13 -26.32 22.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.59 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.47 -50.99 18.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.418 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.0 mm -58.95 -27.99 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.439 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -66.06 -57.4 7.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.679 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' B' ' 99' ' ' ASN . 13.6 t60 -54.0 -70.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.832 -178.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -36.15 -25.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.102 -0.499 . . . . 1.0 112.086 -177.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' B' ' 97' ' ' HIS . 5.2 p-10 -161.68 112.89 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.984 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.82 151.63 93.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.87 -9.37 25.58 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 121.86 1.707 . . . . 1.0 111.881 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -62.74 143.74 57.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.48 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.983 -1.008 . . . . 1.0 110.644 -179.901 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.2 m120 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 10' ' ' THR . 1.5 t -83.94 -21.59 31.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.641 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.3 -19.11 62.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.536 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 m -69.63 -70.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.74 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.559 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.0 mp -43.64 -42.42 5.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.526 -179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -52.01 -61.26 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.015 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' GLU . 52.2 mtp180 -55.31 -52.5 63.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.3 t -43.42 -23.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.008 -178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 15' ' ' ARG . 11.9 m -81.98 -40.75 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.498 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ARG . 33.9 tt0 -61.61 -19.45 62.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.831 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.9 mm -69.99 -36.21 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.78 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -71.45 -65.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.609 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -46.06 -23.28 0.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.59 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.58 -34.99 58.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.985 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.6 mt -76.08 3.51 10.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.825 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 25' ' ' ASP . . . -55.19 -172.86 0.09 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 24' ' ' GLY . 4.8 m-20 55.45 108.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.333 . . . . 1.0 110.754 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -59.4 -37.17 77.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.714 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -58.39 -33.87 70.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.731 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -67.89 -30.02 69.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.947 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.0 mt -74.83 -26.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.967 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -70.18 -30.86 68.1 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.506 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 mm -63.22 -57.9 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.376 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 48.4 mtm -47.22 -37.66 10.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.525 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -59.66 -32.39 70.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.34 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -75.85 -52.36 10.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 1.0 109.95 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' ' 35' ' ' LEU . 13.9 mt -59.2 -15.75 16.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.483 178.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.5 t -75.39 -58.2 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.61 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.3 m -58.45 -35.27 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.652 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t 178.91 146.84 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 1.0 110.814 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.602 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.6 pm0 -49.73 175.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.637 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.1 144.91 19.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.7 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.1 m -87.89 -167.93 2.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.742 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.7 t -81.56 -63.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.883 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.27 -28.21 73.54 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 120.772 -0.728 . . . . 1.0 111.684 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -74.7 -39.24 62.07 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.193 0.442 . . . . 1.0 112.193 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.8 tt -76.19 -13.81 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.649 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 50' ' ' ASN . 90.5 p -64.64 -63.97 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.37 . . . . 1.0 110.567 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -55.54 -22.94 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.482 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -67.5 -16.92 64.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.087 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.0 tp -168.04 49.45 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.395 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.473 ' CG ' ' H ' ' A' ' 51' ' ' LEU . 36.9 t-20 51.49 -139.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.747 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' H ' ' CG ' ' A' ' 50' ' ' ASN . 8.7 mp 52.27 179.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 76.7 p -151.36 175.71 11.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.811 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -41.22 -43.48 2.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.778 -0.646 . . . . 1.0 111.45 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.8 m -55.02 -52.29 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.083 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -78.99 -38.14 37.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.182 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.6 t -68.23 -43.91 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 1.0 110.846 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 56.5 m -59.46 -37.75 78.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.561 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' LYS . 31.4 t-80 -70.38 -69.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.225 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 60' ' ' LEU . 17.2 pt20 -44.05 -42.27 6.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.971 -178.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.404 ' N ' ' CG ' ' A' ' 59' ' ' GLN . 10.2 tp -53.7 -34.85 60.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 1.0 110.448 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' HIS . 50.7 tttp -60.64 -34.25 73.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.933 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.581 ' N ' HD22 ' A' ' 62' ' ' LEU . 3.3 mm? -69.06 -27.24 65.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.34 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.6 mt -79.69 -39.36 31.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.738 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.47 ' NZ ' ' H ' ' A' ' 71' ' ' ALA . 61.9 tttp -64.75 -20.01 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.609 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 83.0 p -74.12 -57.5 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.011 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.468 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 7.5 p -66.07 -5.35 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.65 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 65' ' ' SER . 4.8 m80 78.33 14.81 1.38 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.827 -0.624 . . . . 1.0 112.164 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.6 mt -80.06 -12.07 59.72 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.633 -0.506 . . . . 1.0 109.633 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 70' ' ' LYS . 93.1 t -139.85 159.51 26.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.876 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.516 ' N ' HG12 ' A' ' 69' ' ' VAL . 64.4 tttm -146.83 136.25 22.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.276 -179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' H ' ' NZ ' ' A' ' 64' ' ' LYS . . . -102.38 142.85 32.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.455 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -148.92 163.07 38.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.13 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -89.3 131.63 35.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.265 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -140.76 78.86 1.67 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.066 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.34 -99.96 2.21 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.766 -0.934 . . . . 1.0 110.766 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -133.17 13.39 4.24 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.741 0.305 . . . . 1.0 110.419 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.2 p -128.25 135.29 49.46 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.471 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 78' ' ' MET . 1.7 mpt? -85.91 87.66 7.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.436 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.1 mt -91.34 148.32 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.427 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -137.6 173.94 11.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.281 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.3 t -172.17 -156.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.568 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -68.8 -160.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.629 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -154.07 -7.64 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.54 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.493 ' OD2' ' ND1' ' A' ' 86' ' ' HIS . 44.1 t0 -167.96 160.27 12.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.428 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.458 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 21.4 pt -81.7 -4.58 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.73 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.493 ' ND1' ' OD2' ' A' ' 84' ' ' ASP . 32.6 m170 -78.42 -24.75 46.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.58 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.74 -46.09 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.732 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.34 -64.13 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.86 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.1 p -44.97 -48.47 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.938 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.0 ttt -42.13 -48.98 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.243 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.2 mt -65.76 -37.87 87.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.978 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.525 ' O ' ' ND1' ' A' ' 96' ' ' HIS . 90.9 mttt -78.66 -12.72 60.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.189 -177.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -85.22 -20.99 29.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 1.0 110.517 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.64 -59.39 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.542 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.53 -25.37 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.796 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 92' ' ' LYS . 0.3 OUTLIER -68.62 -47.98 65.24 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.861 -0.336 . . . . 1.0 110.537 179.224 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -63.88 -14.05 50.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.797 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.94 -67.04 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.905 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -72.71 56.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.86 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.598 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 1.9 t-160 -79.76 -38.16 1.19 Allowed Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 100' ' ' HIS . 52.5 Cg_exo -53.4 -162.76 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.072 1.848 . . . . 1.0 112.335 -178.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.526 ' N ' ' CD ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -155.62 162.96 40.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.603 178.669 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.975 -1.012 . . . . 1.0 110.786 -179.466 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.365 -0.605 . . . . 1.0 109.365 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.1 p -56.08 -25.16 44.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.5 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -73.53 -53.51 10.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.747 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 51.1 p -60.67 -50.89 71.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.518 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 36.6 tp -50.41 -29.33 9.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.532 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -61.03 -59.26 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.629 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -58.03 -42.27 84.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.745 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 84.2 t -53.63 -32.87 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.76 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -74.7 -39.65 61.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.676 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.88 -16.3 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.731 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.451 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 98.4 mt -69.39 -70.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.674 -0.411 . . . . 1.0 110.507 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -40.38 -63.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.466 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -44.45 -33.49 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.145 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -66.74 -29.64 69.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.342 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.539 HD22 ' N ' ' B' ' 23' ' ' LEU . 3.1 mm? -89.46 12.19 17.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.579 0.228 . . . . 1.0 110.506 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.19 -163.65 11.92 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 60.74 115.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 1.0 110.644 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -51.08 -57.96 7.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.855 -0.611 . . . . 1.0 111.196 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -46.31 -38.36 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.638 -177.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.557 HH12 ' CG ' ' B' ' 59' ' ' GLN . 80.0 mtt-85 -69.2 -43.25 74.53 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.972 -0.291 . . . . 1.0 111.363 -177.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 97.0 mt -51.67 -29.89 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.695 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -73.1 -33.65 65.7 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.925 -0.31 . . . . 1.0 110.896 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 55.6 mt -60.29 -42.08 89.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.505 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 13.5 tpt -71.08 -40.42 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 1.0 110.706 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -53.9 -54.79 33.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.44 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.24 -28.71 67.47 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.818 -0.353 . . . . 1.0 111.313 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 38.3 mt -64.61 -40.42 95.45 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.769 -0.456 . . . . 1.0 109.769 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 62.0 p -55.94 -43.14 77.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.501 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.8 t -67.08 -48.78 78.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.454 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 13.9 t -161.17 147.98 14.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.644 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -64.21 176.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.572 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.32 135.44 11.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.523 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.6 m -69.97 -168.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.384 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.657 HG13 ' N ' ' B' ' 43' ' ' GLY . 14.6 p -72.57 -60.41 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.616 -0.434 . . . . 1.0 110.759 -178.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.657 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -75.14 -32.82 55.62 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.535 -0.626 . . . . 1.0 111.535 -178.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -49.35 -20.18 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 1.0 110.836 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.563 HG22 ' O ' ' B' ' 42' ' ' VAL . 11.2 tt -74.86 -25.74 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.796 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.511 ' O ' ' N ' ' B' ' 50' ' ' ASN . 73.7 m -49.66 -59.11 4.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.009 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -43.82 -18.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.305 -178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' B' ' 46' ' ' SER . 8.5 tp-100 -92.79 -57.63 2.6 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.764 0.316 . . . . 1.0 110.597 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 17.6 mt -100.18 -46.48 5.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.348 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' B' ' 46' ' ' SER . 20.0 t-20 57.4 87.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.743 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 57.4 mt -134.4 -85.72 0.41 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.335 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 10.2 t -157.93 127.29 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -47.24 -36.42 8.97 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.823 -0.351 . . . . 1.0 110.7 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.9 p -62.23 -27.02 68.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.761 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -73.88 -40.12 63.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.859 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.96 -45.99 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.635 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.8 t -54.25 -36.25 63.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.23 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -79.42 -67.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.642 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLN . . . . . 0.557 ' CG ' HH12 ' B' ' 28' ' ' ARG . 28.9 tt0 -49.41 -27.38 4.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.432 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 37.1 tp -75.14 -41.18 58.9 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.636 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -63.46 -22.04 66.66 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.477 -0.489 . . . . 1.0 110.575 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 23.4 mt -71.55 -43.55 66.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.357 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.2 -30.83 68.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.455 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -66.07 -37.5 85.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.568 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 9.0 m -53.47 -40.88 65.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.475 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.1 t -77.32 -11.69 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.086 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 67.74 16.97 9.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.919 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 38.6 tp -63.19 -14.2 46.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.043 0.449 . . . . 1.0 110.272 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.3 m -146.02 172.51 3.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.554 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -151.92 120.99 6.67 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.18 163.34 12.29 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.014 0.435 . . . . 1.0 110.939 -177.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -140.72 156.6 46.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.643 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' B' ' 73' ' ' ARG . 0.8 OUTLIER -82.64 116.75 22.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.269 179.638 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -149.68 115.48 5.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 1.0 109.989 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.9 -169.18 52.94 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.222 -1.151 . . . . 1.0 110.222 -177.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -81.31 33.56 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.808 0.337 . . . . 1.0 110.612 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 84.5 p -151.06 166.35 31.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.035 0.445 . . . . 1.0 110.692 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 49.7 mtt -109.84 92.06 3.9 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.354 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -78.41 147.6 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.487 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.5 ' O ' ' CD1' ' B' ' 80' ' ' TYR . 47.5 p90 -150.56 128.47 11.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.439 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 46.0 p -123.38 -144.93 0.34 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.829 0.347 . . . . 1.0 110.271 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mt -74.38 163.42 27.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.709 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -79.24 -67.93 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.809 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -159.11 -179.02 7.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.729 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 13.5 pt -74.05 62.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.69 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -150.05 -24.65 0.26 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.519 179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.498 HG23 ' N ' ' B' ' 88' ' ' ALA . 34.3 m -76.33 -41.11 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.858 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.498 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -74.15 -22.84 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.951 -178.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 32.6 p -72.65 -40.82 66.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.878 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 20.8 ttt -79.83 -29.22 40.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.967 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.82 -53.51 39.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.81 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.445 ' CG ' ' N ' ' B' ' 93' ' ' GLN . 17.7 ptmt -62.8 -52.59 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.832 -178.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.445 ' N ' ' CG ' ' B' ' 92' ' ' LYS . 79.8 mt-30 -45.99 -27.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.671 0.272 . . . . 1.0 110.865 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.27 -41.86 47.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 1.0 110.343 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 84.4 mt -72.73 -26.16 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.429 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -72.69 -25.29 61.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.381 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.41 ' C ' ' H ' ' B' ' 99' ' ' ASN . 62.9 t-80 -83.8 -20.36 33.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.417 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.57 5.45 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.65 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' B' ' 97' ' ' HIS . 57.1 t30 -158.63 -59.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.259 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 83.3 t60 50.37 62.86 10.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.729 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.417 ' C ' ' N ' ' B' ' 103' ' ' GLU . 95.3 Cg_endo -75.59 70.09 5.8 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.378 2.052 . . . . 1.0 111.791 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -47.62 -17.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.763 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' B' ' 103' ' ' GLU . 29.5 mp0 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.596 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.2 p30 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.471 -0.566 . . . . 1.0 109.471 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.4 p -89.36 -22.03 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.54 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.477 ' CG ' ' H ' ' A' ' 12' ' ' THR . 8.2 p-10 -86.92 -64.34 1.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.569 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.477 ' H ' ' CG ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -52.46 -24.36 7.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.715 -179.522 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.426 ' O ' HG22 ' A' ' 16' ' ' VAL . 19.7 tp -72.96 -53.54 10.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.194 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -62.62 -12.02 20.58 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.913 -0.315 . . . . 1.0 110.705 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -72.39 -60.58 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.752 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 13' ' ' LEU . 6.4 m -50.27 -18.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.471 -179.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 m -77.7 -35.56 51.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.279 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -64.3 -20.1 65.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.618 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.448 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 60.4 mt -63.54 -70.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.634 -0.426 . . . . 1.0 110.176 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' LEU . 98.1 m-85 -40.55 -58.11 1.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.258 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -44.35 -32.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.001 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -70.67 -30.43 67.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.924 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.556 ' N ' HD22 ' A' ' 23' ' ' LEU . 3.1 mm? -81.22 -5.45 57.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.291 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 26' ' ' TYR . . . -55.12 -46.7 77.37 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.231 -0.748 . . . . 1.0 111.231 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 25.4 p-10 -46.45 90.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.999 0.428 . . . . 1.0 110.681 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 24' ' ' GLY . 36.5 t80 -46.62 -67.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.382 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -40.24 -32.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.754 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' ILE . 1.0 OUTLIER -69.49 -51.44 35.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.413 . . . . 1.0 110.424 -178.224 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 76.0 mt -42.65 -35.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.395 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -69.99 -33.3 71.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 1.0 110.752 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 28' ' ' ARG . 62.5 mt -71.0 -30.45 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.242 178.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 38.1 ttp -63.18 -31.93 73.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.265 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -67.26 -31.23 71.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.359 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.9 tp -70.8 -58.98 3.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.306 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.2 mt -52.53 -24.35 7.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.874 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.5 t -64.85 -54.06 36.92 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.839 -0.344 . . . . 1.0 110.455 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.1 t -57.68 -37.6 60.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.528 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 t -177.55 146.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.631 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -53.01 160.52 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.229 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.04 149.89 23.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.903 0.382 . . . . 1.0 110.761 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.3 t -87.25 162.44 17.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.451 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.2 t -49.04 -49.67 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.092 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.72 -46.03 92.71 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.237 -0.745 . . . . 1.0 111.237 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -52.0 -30.11 23.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.557 0.217 . . . . 1.0 111.026 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.5 mm -65.96 -27.94 42.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 50' ' ' ASN . 17.8 m -53.34 -62.71 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.867 -178.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -55.95 -18.32 8.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.447 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.0 tp60 -72.14 -23.22 61.27 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.792 -0.363 . . . . 1.0 111.21 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 tp -163.18 22.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.938 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 46' ' ' SER . 5.9 m-80 43.09 91.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.971 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 tp -152.96 170.11 21.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.154 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.1 t -83.02 150.94 26.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.501 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -73.05 -51.66 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.607 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.5 m -45.99 -36.03 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.692 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -68.57 -44.47 74.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.733 -179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.86 -37.96 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.611 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.9 p -63.28 -44.92 93.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.346 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -60.43 -52.05 66.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.596 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -51.74 -59.91 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.62 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.8 mt -44.28 -25.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.103 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -70.67 -40.89 72.71 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.721 -0.392 . . . . 1.0 110.559 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.584 ' N ' HD12 ' A' ' 62' ' ' LEU . 9.4 mp -62.03 -30.59 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.118 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 63' ' ' LEU . 7.5 mp -78.98 -31.12 44.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.246 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -66.12 -21.64 66.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.374 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.484 ' C ' ' H ' ' A' ' 67' ' ' HIS . 44.2 m -73.83 -49.22 26.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.119 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.1 p -76.0 30.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.235 0.541 . . . . 1.0 110.62 -178.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.484 ' H ' ' C ' ' A' ' 65' ' ' SER . 23.8 m80 59.36 9.68 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.683 -0.69 . . . . 1.0 112.452 175.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.38 145.23 28.44 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.2 t 65.73 149.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.306 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -142.14 174.93 10.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.066 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -131.38 130.64 42.88 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.026 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -117.57 137.03 52.87 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.345 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -90.68 128.1 36.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.19 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -147.1 97.56 2.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.859 0.361 . . . . 1.0 110.19 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.94 -100.34 1.47 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.725 -0.95 . . . . 1.0 110.725 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -128.17 -25.48 2.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.795 0.331 . . . . 1.0 110.422 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.9 t -89.42 144.73 25.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.64 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 41.6 mtp -97.36 99.78 11.22 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.185 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.4 mm -79.31 132.19 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.89 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -110.7 142.92 41.97 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.365 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.3 p -153.83 -178.21 6.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.633 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.7 163.26 27.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.755 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -70.91 -60.47 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.658 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 18.0 t70 -162.02 -169.96 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.461 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.479 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 11.2 mm -73.48 70.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.607 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -154.28 -30.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.3 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 44.8 t -81.22 -34.29 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.72 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.48 -61.05 2.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.803 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -38.95 69.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.767 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 42.1 ttm -51.26 -46.11 62.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.574 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.1 tp -58.57 -42.73 88.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.283 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -67.77 -63.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.904 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -40.2 -31.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.705 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.402 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -69.95 -66.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 1.0 111.015 -178.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.6 mp -59.94 -5.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.794 -0.447 . . . . 1.0 109.794 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.402 ' H ' ' C ' ' A' ' 94' ' ' ALA . 57.3 t60 -73.28 -63.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.405 178.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -56.71 -16.34 6.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.486 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.76 -71.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.465 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -73.58 -57.6 3.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.403 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 46.3 64.55 8.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.604 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.63 127.78 7.4 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.783 2.322 . . . . 1.0 112.054 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -72.08 -44.64 62.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.551 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.53 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.4 m -47.34 -20.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.537 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -55.45 -43.43 75.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.539 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.4 p -60.29 -44.37 95.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.483 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.523 ' O ' HD13 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -44.43 -37.44 3.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.227 -179.78 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -63.87 -58.54 6.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.581 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' B' ' 18' ' ' GLU . 41.1 ttm180 -52.38 -45.17 65.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.908 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 90.8 t -45.68 -23.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.439 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 29.7 m -76.13 -41.17 50.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.349 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' B' ' 15' ' ' ARG . 81.3 tt0 -56.96 -18.16 12.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.678 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 51.9 mt -70.94 -63.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.796 -0.362 . . . . 1.0 110.742 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -48.37 -63.88 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.837 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -47.5 -37.49 12.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.213 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.65 4.9 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.367 . . . . 1.0 110.684 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.5 tp -121.79 -17.51 7.36 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.185 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.71 77.07 0.8 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.976 -0.849 . . . . 1.0 110.976 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -164.09 114.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 1.0 110.538 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -51.2 -26.42 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.769 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -75.91 -47.04 26.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.201 -178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -75.64 -35.14 60.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.174 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.63 -43.72 95.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.206 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 43.4 ttt-85 -73.54 -33.04 64.52 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.636 -0.426 . . . . 1.0 111.304 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 88.9 mt -66.29 -35.62 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.745 -0.382 . . . . 1.0 109.986 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 7.4 mmt -60.81 -36.7 79.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.367 178.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -62.34 -33.98 75.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.733 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 18.8 tp -70.85 -54.37 11.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.337 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 34.8 mt -58.82 -12.95 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.795 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -78.89 -40.08 33.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.572 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 47.1 t -71.63 -37.03 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.687 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 34.6 p -173.51 161.69 4.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.666 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.507 ' OE2' ' N ' ' B' ' 39' ' ' GLU . 1.8 mp0 -72.41 156.01 39.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.399 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.22 144.25 18.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.867 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.8 m -80.12 166.68 21.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.188 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.579 HG23 ' N ' ' B' ' 43' ' ' GLY . 24.2 m -54.42 -50.34 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.69 -0.404 . . . . 1.0 110.644 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.579 ' N ' HG23 ' B' ' 42' ' ' VAL . . . -61.06 -34.54 88.31 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.184 -0.766 . . . . 1.0 111.184 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 50.1 m170 -66.03 -27.18 67.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.321 . . . . 1.0 110.731 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.0 mt -70.26 -22.28 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.239 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.528 ' O ' ' N ' ' B' ' 50' ' ' ASN . 7.6 m -53.57 -55.77 22.82 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.438 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -45.13 -21.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.429 HE21 ' HB2' ' B' ' 48' ' ' GLN . 5.2 tp-100 -90.11 -45.27 9.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.162 178.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 38.9 mt -134.25 59.29 1.74 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.004 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' B' ' 46' ' ' SER . 40.9 m-80 -48.6 96.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.792 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 72.3 mt -137.1 -78.94 0.39 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.387 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -157.75 132.14 8.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.357 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.564 ' H ' ' CD ' ' B' ' 53' ' ' GLN . 25.4 mp0 -63.39 -50.19 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.684 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.1 p -48.7 -30.98 6.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.695 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -74.06 -39.59 63.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.418 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.63 -44.58 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.318 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.4 p -59.98 -38.47 82.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.269 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -67.32 -40.3 85.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.545 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -66.69 -62.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.355 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -44.72 -27.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.968 -0.293 . . . . 1.0 111.348 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -70.18 -37.41 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.585 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.37 -35.1 79.28 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.575 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.571 ' N ' HD12 ' B' ' 63' ' ' LEU . 8.1 mp -69.88 -25.62 63.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.313 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -61.28 -45.08 95.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.667 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.469 ' O ' ' CE1' ' B' ' 67' ' ' HIS . 26.6 t -54.5 -36.37 64.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.718 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.9 0.41 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.459 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.469 ' CE1' ' O ' ' B' ' 65' ' ' SER . 13.4 m80 65.6 12.98 8.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.352 178.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 71.7 mt -76.96 -108.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.368 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.2 m -43.38 156.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.843 0.354 . . . . 1.0 111.084 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -149.03 172.54 14.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 1.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.12 131.71 11.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.949 0.404 . . . . 1.0 110.632 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' LYS . . . . . 0.454 ' CB ' ' NZ ' ' B' ' 72' ' ' LYS . 8.4 mtpm? -110.04 161.82 15.15 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.399 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.46 ' N ' ' CD ' ' B' ' 73' ' ' ARG . 0.8 OUTLIER -89.95 124.89 35.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.959 178.465 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -152.68 93.99 1.83 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.666 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.02 28.58 53.91 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.307 -0.717 . . . . 1.0 111.307 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 71.7 18.78 5.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.925 0.393 . . . . 1.0 110.535 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 6.4 t -126.88 132.07 51.02 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.332 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.443 ' SD ' ' N ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -84.33 110.91 18.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.467 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.0 mm -93.12 120.87 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.606 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -96.15 132.95 41.03 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.603 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 18.9 p -132.19 161.14 34.12 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.256 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' B' ' 84' ' ' ASP . 10.5 tp -78.27 65.32 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.892 -178.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 50.65 -86.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.119 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 82' ' ' LEU . 12.6 m-20 -148.94 168.99 21.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.098 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 pt -61.29 -2.15 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.753 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.44 ' O ' HG22 ' B' ' 89' ' ' THR . 34.0 m170 -71.0 -80.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.352 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 61.7 t -45.92 -20.45 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.748 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' B' ' 86' ' ' HIS . . . -59.37 -61.48 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.646 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' THR . . . . . 0.44 HG22 ' O ' ' B' ' 86' ' ' HIS . 0.9 OUTLIER -61.47 -28.85 69.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.594 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 9.1 ttt -62.75 -38.01 88.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.284 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' LEU . . . . . 0.5 HD23 ' O ' ' B' ' 91' ' ' LEU . 1.1 tt -57.51 -48.52 79.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 1.0 109.766 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -65.2 -56.0 15.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.735 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -46.43 -28.33 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.447 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.23 -66.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 1.0 110.836 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.1 tt -55.04 -14.02 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.76 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -68.59 -58.46 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.609 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 64.4 t-80 -60.07 -21.21 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.607 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.3 -76.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.383 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -80.28 69.18 6.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.293 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.585 ' N ' ' CD ' ' B' ' 101' ' ' PRO . 19.2 t60 -74.1 -34.86 2.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 1.0 112.132 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' B' ' 100' ' ' HIS . 71.5 Cg_exo -50.44 123.6 11.58 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 121.592 1.528 . . . . 1.0 112.132 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -69.86 -61.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.731 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 117.956 -1.021 . . . . 1.0 110.333 -179.556 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.242 -0.651 . . . . 1.0 109.242 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -86.96 -13.05 45.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.478 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.6 -38.42 62.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.635 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' ARG . 87.9 m -53.54 -67.17 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.78 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.57 ' N ' HD12 ' A' ' 13' ' ' LEU . 10.0 mp -46.75 -33.94 4.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.351 -179.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -72.87 -35.52 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.991 0.424 . . . . 1.0 110.074 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 12' ' ' THR . 38.4 ttm180 -75.55 -51.8 12.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.877 -0.602 . . . . 1.0 110.768 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.3 t -50.91 -38.93 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.755 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.8 m -68.03 -36.62 80.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.636 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.99 -22.32 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.891 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.3 mm -70.54 -32.42 49.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.422 -0.353 . . . . 1.0 110.884 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.444 ' CE2' HD11 ' B' ' 23' ' ' LEU . 58.5 m-85 -77.31 -63.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.894 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -50.52 -26.27 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 1.0 110.469 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.52 3.19 9.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.842 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.1 mt -130.97 15.24 5.23 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.184 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.99 -65.05 3.84 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.804 -0.918 . . . . 1.0 110.804 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -48.04 120.87 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 1.0 110.73 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -68.58 -25.15 64.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.858 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -57.23 -37.65 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.92 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.53 -22.2 59.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.995 -178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.7 mt -76.87 -35.93 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.949 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -70.49 -32.06 69.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.844 -0.343 . . . . 1.0 110.675 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -71.5 -53.34 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.58 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.403 ' O ' ' OG ' ' A' ' 36' ' ' SER . 56.5 mtt -49.83 -34.06 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.783 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -66.07 -40.19 90.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.919 0.39 . . . . 1.0 110.624 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.524 HD23 HE22 ' A' ' 48' ' ' GLN . 0.2 OUTLIER -61.99 -57.06 13.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.064 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 35' ' ' LEU . 10.1 mp -54.7 -22.37 13.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.711 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 32' ' ' MET . 2.0 m -63.18 -33.63 75.9 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.424 -0.51 . . . . 1.0 109.841 178.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 t -78.76 -38.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.429 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.8 p -169.48 130.71 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.87 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.595 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.3 pm0 -48.14 172.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.867 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.49 146.2 19.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.551 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.6 t -89.53 -170.21 2.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.564 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -69.88 -61.45 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.114 0.483 . . . . 1.0 110.586 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.51 -37.68 89.15 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -71.92 -43.37 65.42 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.6 tt -73.21 -18.37 18.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.259 -0.576 . . . . 1.0 111.003 -176.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.555 ' CB ' HE22 ' A' ' 53' ' ' GLN . 5.3 m -63.13 -15.32 56.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.008 0.432 . . . . 1.0 110.536 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.504 ' ND1' ' N ' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -81.99 -11.23 58.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.136 179.211 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.524 HE22 HD23 ' A' ' 34' ' ' LEU . 33.5 tp60 -75.04 -45.85 38.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.928 -178.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.4 tp -171.19 -30.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.147 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' SER . 15.3 m120 -84.35 129.14 34.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.567 -0.288 . . . . 1.0 110.899 -178.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.607 ' N ' HD12 ' A' ' 51' ' ' LEU . 8.4 mp -87.91 -63.84 1.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.895 0.379 . . . . 1.0 110.018 178.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 m -72.4 141.94 48.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.63 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.555 HE22 ' CB ' ' A' ' 46' ' ' SER . 46.8 mm-40 -80.94 -51.56 8.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.913 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -44.79 -27.64 0.54 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.868 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -67.31 -44.4 79.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.621 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.33 -34.65 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.828 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -57.3 -40.72 78.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.023 0.44 . . . . 1.0 109.945 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.32 -52.23 59.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.292 178.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -49.53 -63.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.023 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.6 mt -42.49 -25.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.454 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -70.86 -42.14 70.49 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.965 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.533 ' N ' HD22 ' A' ' 62' ' ' LEU . 3.2 mm? -67.59 -47.96 68.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.59 -179.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.5 mt -55.87 -27.26 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.667 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -72.04 -31.86 66.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.404 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.474 ' C ' ' H ' ' A' ' 67' ' ' HIS . 15.0 t -55.37 -57.81 10.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.664 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.546 ' O ' HG22 ' A' ' 66' ' ' VAL . 2.6 p -62.94 0.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.258 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.474 ' H ' ' C ' ' A' ' 65' ' ' SER . 39.1 t-80 64.47 15.1 9.35 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.18 177.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.406 ' H ' HG13 ' A' ' 66' ' ' VAL . 21.2 tp -64.08 -113.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.725 -0.472 . . . . 1.0 109.725 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 68' ' ' LEU . 20.9 m -46.93 174.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.402 . . . . 1.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -142.53 175.01 10.12 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.051 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.04 158.78 38.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.423 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 79' ' ' ILE . 30.3 ttmt -149.69 116.99 6.05 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.599 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -60.53 151.22 29.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.182 0.515 . . . . 1.0 111.408 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -153.06 87.67 1.28 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.27 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 74.12 62.92 2.8 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 57.56 1.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.453 0.168 . . . . 1.0 111.435 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 75' ' ' GLY . 61.1 m -108.73 132.57 53.82 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.802 0.334 . . . . 1.0 110.367 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.412 ' H ' ' HG2' ' A' ' 78' ' ' MET . 15.6 ptt? -98.46 118.29 34.82 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.394 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 79' ' ' ILE . 10.4 tp -95.44 123.26 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.48 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.434 ' CE2' ' CD2' ' A' ' 35' ' ' LEU . 14.7 t80 -101.4 136.06 41.87 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.211 -0.45 . . . . 1.0 109.941 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 p -165.86 -160.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.879 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.8 mt -78.81 176.72 9.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.829 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -93.71 -63.18 1.23 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.921 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.457 ' O ' HG23 ' A' ' 85' ' ' ILE . 74.3 m-20 -145.69 -83.56 0.13 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.24 -177.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.626 ' C ' HD12 ' A' ' 85' ' ' ILE . 2.4 pp -156.93 -2.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.526 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.617 ' N ' HD12 ' A' ' 85' ' ' ILE . 52.7 m80 -77.84 -35.87 50.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.176 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 37.0 t -67.13 -43.33 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.549 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.37 -52.94 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.456 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.7 m -49.21 -31.12 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.377 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.6 tpp -62.62 -41.59 99.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.629 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.5 mt -72.36 -49.94 30.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.914 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -56.99 -24.13 51.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.223 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -86.08 -23.56 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 1.0 110.551 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.16 -47.59 42.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.508 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.4 mm -68.18 -23.69 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.524 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.508 ' NE2' ' ND1' ' B' ' 86' ' ' HIS . 43.5 t60 -67.33 -60.24 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.792 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.521 ' O ' ' NE2' ' A' ' 100' ' ' HIS . 71.3 t60 -63.17 -18.3 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.992 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.33 -77.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.9 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.528 ' O ' ' CD2' ' A' ' 100' ' ' HIS . 19.7 p30 -86.91 168.62 13.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.713 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 99' ' ' ASN . 87.6 m-70 -158.8 68.0 3.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.573 -179.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -83.56 -21.97 4.02 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.936 2.424 . . . . 1.0 112.348 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -66.33 140.27 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.713 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 118.08 -0.962 . . . . 1.0 110.62 179.855 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 44.7 p30 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.7 t -83.78 -15.37 48.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.582 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -75.77 -30.42 59.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.526 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.4 p -52.05 -37.66 54.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.597 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.58 ' N ' HD12 ' B' ' 13' ' ' LEU . 7.9 mp -77.41 -36.25 53.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.198 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.75 -10.59 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.707 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' B' ' 17' ' ' THR . 92.8 mtt180 -93.48 -70.12 0.72 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.887 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.6 m -44.24 -15.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.316 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.514 ' N ' ' O ' ' B' ' 15' ' ' ARG . 16.1 p -78.75 -51.78 9.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.14 -178.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' B' ' 22' ' ' ALA . 5.6 pt-20 -64.45 -16.02 61.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.821 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 35.7 mm -67.31 -37.57 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.661 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -70.88 -66.72 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.488 -0.324 . . . . 1.0 111.01 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -55.17 -21.88 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.473 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' B' ' 18' ' ' GLU . . . -50.51 -32.92 19.62 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.908 -0.317 . . . . 1.0 110.952 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -129.94 58.38 1.65 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.979 0.418 . . . . 1.0 110.733 -179.67 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.36 -22.12 38.7 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -81.47 130.45 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 1.0 110.886 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' B' ' 29' ' ' ILE . 67.7 m-85 -51.98 -71.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.307 -178.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -33.66 -34.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.337 0.495 . . . . 1.0 112.337 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' B' ' 26' ' ' TYR . 94.8 mtt180 -72.13 -34.76 68.8 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.994 -0.282 . . . . 1.0 111.709 -177.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' B' ' 26' ' ' TYR . 6.0 tt -59.18 -29.34 41.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.641 -0.423 . . . . 1.0 110.703 -177.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -78.92 -33.79 45.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.322 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -58.25 -47.26 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.761 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 53.7 mtm -70.36 -36.64 74.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.998 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -56.13 -32.55 64.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 24.0 tp -71.57 -46.25 59.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.378 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 31.1 mt -63.49 -5.79 4.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -84.49 -57.98 2.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.311 . . . . 1.0 110.369 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 15.3 t -59.65 -39.75 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.562 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -165.5 153.16 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.461 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.573 ' H ' ' CD ' ' B' ' 39' ' ' GLU . 1.8 mp0 -67.4 162.83 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.509 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.06 134.57 10.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.5 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.6 p -81.4 -164.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.643 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.473 ' O ' HG22 ' B' ' 45' ' ' ILE . 96.3 t -77.58 -66.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.911 -179.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.55 -19.35 18.96 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.604 -0.598 . . . . 1.0 111.604 -178.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -79.39 -12.92 59.9 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.76 -0.259 . . . . 1.0 111.571 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.473 HG22 ' O ' ' B' ' 42' ' ' VAL . 9.1 tp -75.93 -22.58 15.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.734 -0.387 . . . . 1.0 110.694 -178.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.2 m -55.61 -8.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.86 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' HIS . . . . . 0.413 ' H ' ' C ' ' B' ' 45' ' ' ILE . 2.0 m-70 -86.11 -31.3 21.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.603 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -95.91 -57.56 2.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.428 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' B' ' 51' ' ' LEU . 9.8 mp -97.16 50.63 1.09 Allowed 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.942 -0.392 . . . . 1.0 109.942 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' B' ' 50' ' ' ASN . 1.5 m120 -46.71 87.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.895 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' B' ' 49' ' ' LEU . 16.2 tp -160.84 -68.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.408 -177.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -158.59 138.75 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.587 -0.279 . . . . 1.0 110.404 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.449 ' H ' ' CD ' ' B' ' 53' ' ' GLN . 23.3 mp0 -77.27 -48.68 16.85 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.935 -0.306 . . . . 1.0 110.778 179.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.482 ' O ' ' CE1' ' B' ' 58' ' ' HIS . 11.6 t -49.43 -29.75 6.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.762 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -66.87 -41.5 87.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.496 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 57.3 t -73.92 -37.17 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.598 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.0 p -58.83 -31.76 68.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.202 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' HIS . . . . . 0.482 ' CE1' ' O ' ' B' ' 54' ' ' SER . 15.9 m170 -76.31 -63.13 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.397 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -46.52 -44.35 17.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.696 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.6 tp -58.15 -33.38 69.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 1.0 110.525 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -61.94 -30.93 71.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.67 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.565 HD22 ' N ' ' B' ' 62' ' ' LEU . 3.0 mm? -78.82 -25.8 44.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.043 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 25.5 tp -73.63 -33.58 64.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.261 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.401 ' C ' ' H ' ' B' ' 67' ' ' HIS . 34.9 ttmt -71.7 -26.97 62.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.653 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 9.3 t -48.92 -52.22 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.056 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.8 t -79.92 -4.5 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.093 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' B' ' 69' ' ' VAL . 94.7 m-70 56.56 25.63 10.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.295 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.15 -10.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.966 -0.383 . . . . 1.0 109.966 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' B' ' 67' ' ' HIS . 16.2 m -146.66 173.29 2.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.534 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -136.87 150.03 48.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.134 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -133.43 159.66 39.68 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.371 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -135.42 146.98 48.82 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.376 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 66.8 mtm-85 -90.96 135.47 33.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.23 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -140.78 92.89 2.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.888 0.375 . . . . 1.0 110.37 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.82 -76.39 1.75 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.249 -0.74 . . . . 1.0 111.249 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -154.49 -18.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.739 0.304 . . . . 1.0 110.814 -178.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 67.3 m -87.32 133.69 33.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.843 0.354 . . . . 1.0 110.632 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.447 ' O ' ' CE2' ' B' ' 80' ' ' TYR . 44.6 mtt -92.68 96.18 10.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.492 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.686 ' N ' HD12 ' B' ' 79' ' ' ILE . 1.5 mp -82.31 150.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.85 -0.426 . . . . 1.0 109.85 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.447 ' CE2' ' O ' ' B' ' 78' ' ' MET . 73.7 m-85 -130.01 146.11 51.68 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.205 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.3 m -159.51 -169.53 2.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.576 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.601 HD22 ' N ' ' B' ' 82' ' ' LEU . 3.1 mm? -69.22 171.95 7.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.179 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' B' ' 84' ' ' ASP . 8.8 t70 -84.36 -89.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.684 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 45.6 t0 -147.32 42.62 1.1 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.39 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.564 HG22 ' N ' ' B' ' 86' ' ' HIS . 33.8 mt 66.09 167.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 O-C-N 123.406 0.441 . . . . 1.0 110.152 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.564 ' N ' HG22 ' B' ' 85' ' ' ILE . 4.2 m170 87.23 -41.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.793 0.683 . . . . 1.0 110.211 -177.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 66.7 t -73.17 -49.13 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.945 0.403 . . . . 1.0 110.46 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.67 -56.73 14.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.049 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 1.5 t -48.12 -40.37 23.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.856 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 37.3 ttm -49.28 -44.45 44.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 1.0 110.27 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.23 -41.07 99.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.666 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' B' ' 94' ' ' ALA . 62.1 tttm -66.41 -62.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.877 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -45.5 -18.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.093 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' B' ' 92' ' ' LYS . . . -76.2 -43.84 40.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.55 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 14.9 mm -72.41 -16.54 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.734 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -74.26 -46.44 41.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.706 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.4 ' O ' ' CD2' ' B' ' 97' ' ' HIS . 11.7 t60 -75.83 -26.33 57.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.582 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -43.57 -24.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.349 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -163.46 108.37 1.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.738 -0.385 . . . . 1.0 111.167 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -82.6 151.27 64.72 Favored Pre-proline 0 C--N 1.33 -0.264 0 N-CA-C 109.76 -0.459 . . . . 1.0 109.76 177.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -73.97 -170.12 0.66 Allowed 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 121.806 1.671 . . . . 1.0 111.839 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -71.23 174.69 6.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.612 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 117.954 -1.022 . . . . 1.0 110.338 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.466 ' C ' ' H ' ' A' ' 11' ' ' ASP . 56.8 t30 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.6 p -53.43 -5.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.3 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 9' ' ' ASN . 4.2 m-20 -58.82 -31.0 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 1.0 110.141 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 13' ' ' LEU . 13.8 t -70.75 -39.18 73.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.541 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' N ' HG23 ' A' ' 12' ' ' THR . 16.4 tp -56.27 -27.6 55.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.553 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -69.06 -61.23 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.339 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -53.55 -21.08 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.281 0.475 . . . . 1.0 112.281 -175.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.2 t -48.36 -50.24 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.546 -0.462 . . . . 1.0 110.911 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 18' ' ' GLU . 11.3 t -59.78 -40.41 88.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.838 -178.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' N ' HG23 ' A' ' 17' ' ' THR . 10.2 mm-40 -55.44 -20.78 13.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.651 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.4 mt -69.62 -70.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.012 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -44.14 -64.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.258 -177.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -42.51 -39.62 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.274 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.413 ' C ' HD12 ' A' ' 23' ' ' LEU . . . -63.46 -28.68 70.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.277 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 23' ' ' LEU . 10.1 mp -100.57 22.39 11.88 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 110.204 -0.295 . . . . 1.0 110.204 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.18 -75.19 0.26 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.281 -0.728 . . . . 1.0 111.281 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -44.8 138.72 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.898 0.38 . . . . 1.0 110.982 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.408 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 49.1 p90 -68.14 -40.73 82.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.923 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' CD2' ' A' ' 26' ' ' TYR . 64.0 t30 -45.71 -35.5 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.858 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -66.46 -34.39 77.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.962 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -69.25 -28.44 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 1.0 111.158 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.505 HH21 ' CD2' ' A' ' 49' ' ' LEU . 53.1 ttp180 -79.66 -38.55 33.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.744 0.306 . . . . 1.0 111.01 -178.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.2 mt -56.65 -26.68 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.033 -0.358 . . . . 1.0 110.033 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.636 ' SD ' HD23 ' A' ' 91' ' ' LEU . 34.8 ttm -81.99 -33.45 30.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.603 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.68 -45.96 87.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.186 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.466 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -68.74 -53.59 21.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.034 0.445 . . . . 1.0 110.41 -178.461 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.72 -29.34 70.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.69 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -55.55 -69.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.57 -177.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.5 p -52.99 -29.13 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.577 -0.283 . . . . 1.0 111.312 -176.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 t -160.24 145.32 14.85 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.925 -0.31 . . . . 1.0 110.626 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -73.42 155.25 39.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.522 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.37 152.78 26.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 1.0 110.877 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 t -86.86 163.57 17.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.017 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.563 HG13 ' N ' ' A' ' 43' ' ' GLY . 11.8 p -47.46 -46.15 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 1.0 110.705 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.563 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -64.86 -39.67 96.73 Favored Glycine 0 CA--C 1.527 0.793 0 C-N-CA 121.327 -0.463 . . . . 1.0 112.19 -176.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.527 ' O ' ' CE1' ' A' ' 47' ' ' HIS . 32.2 m170 -73.97 -36.59 64.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.973 0.387 . . . . 1.0 111.775 -176.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 tt -76.8 -13.74 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.614 -0.434 . . . . 1.0 110.439 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.9 m -56.02 -45.53 79.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.203 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 44' ' ' HIS . 4.4 p-80 -58.67 -11.16 2.81 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.711 -0.395 . . . . 1.0 110.769 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' A' ' 48' ' ' GLN . 0.4 OUTLIER -74.74 -42.73 57.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.117 179.75 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.505 ' CD2' HH21 ' A' ' 30' ' ' ARG . 31.9 mt -96.74 -30.78 13.01 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.333 179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 55.82 63.07 2.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.266 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.6 mt -143.22 -163.03 1.55 Allowed 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.118 -0.697 . . . . 1.0 109.118 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.5 t -71.69 126.76 30.54 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.919 -0.312 . . . . 1.0 110.237 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -52.65 -18.89 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.984 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.4 p -78.8 -20.13 50.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.745 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -72.97 -44.28 61.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.145 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 57' ' ' SER . 7.6 p -74.35 -38.95 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.016 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' HG13 ' A' ' 56' ' ' VAL . 53.4 p -60.57 -39.72 89.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.992 -178.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -73.24 -38.24 66.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.862 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -73.09 -32.77 65.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.075 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.28 -35.0 78.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.576 -0.284 . . . . 1.0 110.822 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.4 -35.79 80.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 1.0 110.627 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.6 tp -56.43 -32.7 65.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.427 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 mt -75.56 -25.31 56.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.044 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -69.91 -12.37 61.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.71 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.2 m -52.03 -61.26 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.935 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.3 m -88.81 27.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.944 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 55.7 33.3 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.162 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.1 tp -70.59 -16.21 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 1.0 110.656 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 70' ' ' LYS . 96.6 t -139.97 159.03 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.695 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.5 ' N ' HG12 ' A' ' 69' ' ' VAL . 31.3 ttmt -131.25 140.19 49.79 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.851 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.75 128.19 49.59 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.913 -177.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.46 122.04 44.69 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 177.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -85.03 123.51 30.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 1.0 111.246 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -128.71 108.12 10.22 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.246 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.85 -87.07 0.02 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.16 -0.776 . . . . 1.0 111.16 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -143.28 -10.5 0.74 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.666 0.27 . . . . 1.0 110.429 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.7 t -87.54 131.71 34.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.295 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 41.3 mmm -92.59 89.02 6.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.096 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.682 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.8 mp -84.06 161.7 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.476 ' N ' HG22 ' A' ' 79' ' ' ILE . 75.3 m-85 -138.22 152.1 48.29 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.063 0.459 . . . . 1.0 110.62 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.492 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 5.7 t -151.7 180.0 7.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.061 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.492 ' N ' ' OG ' ' A' ' 81' ' ' SER . 23.6 mt -66.14 155.92 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.922 -0.311 . . . . 1.0 110.374 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -72.8 -38.42 67.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.399 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -159.23 -172.57 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.0 109.778 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.5 tt -79.61 -29.9 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 1.0 110.994 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -57.92 -15.84 10.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.983 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.9 t -70.27 -46.16 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 1.0 111.133 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.96 -15.0 62.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.061 -178.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.4 p -79.26 -65.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.986 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.442 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 11.3 ptt? -50.11 -45.47 52.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.219 -178.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.636 HD23 ' SD ' ' A' ' 32' ' ' MET . 0.3 OUTLIER -57.38 -63.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 1.0 110.64 -177.899 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -51.19 -62.49 1.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.145 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 93' ' ' GLN . 11.0 tm0? -51.28 -17.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.372 -177.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -64.58 -63.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 1.0 111.056 -178.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.4 pt -64.2 -16.98 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.134 -177.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -75.26 -39.52 59.75 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.221 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -52.03 -64.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.367 -0.533 . . . . 1.0 109.782 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.14 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.41 . . . . 1.0 109.975 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -66.55 85.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 1.0 109.973 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.579 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 56.8 t60 -75.93 -35.43 1.69 Allowed Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 112.591 0.589 . . . . 1.0 112.591 -177.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 100' ' ' HIS . 56.0 Cg_endo -87.89 82.01 1.02 Allowed 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 121.898 1.732 . . . . 1.0 112.515 -176.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -172.9 155.1 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.51 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.976 -1.011 . . . . 1.0 110.771 -179.674 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 11.1 m120 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.9 m -80.04 -30.48 39.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.652 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 21.9 p-10 -60.61 -50.78 72.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 1.0 111.183 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.413 ' H ' HG22 ' B' ' 12' ' ' THR . 1.1 t -65.69 -23.49 66.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.832 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.481 ' O ' HD13 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -71.25 -48.81 48.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.403 -178.887 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -73.3 -9.87 59.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.649 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 19.0 tpt85 -83.56 -57.3 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.789 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.4 m -51.99 -12.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.361 -178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.1 m -85.51 -52.72 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 1.0 111.166 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.19 -26.46 62.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.615 -176.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.577 HG23 ' N ' ' B' ' 20' ' ' PHE . 13.6 tt -53.05 -46.96 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.724 -178.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.577 ' N ' HG23 ' B' ' 19' ' ' ILE . 64.8 m-85 -67.73 -52.97 31.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 1.0 110.559 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -50.32 -15.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.99 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' B' ' 20' ' ' PHE . . . -82.52 -3.97 56.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.417 -178.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.464 ' O ' HD12 ' B' ' 23' ' ' LEU . 1.7 pp -151.42 50.92 0.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.011 0.434 . . . . 1.0 110.723 -178.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.39 -74.51 0.94 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -42.9 146.96 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 1.0 111.175 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -79.66 -24.81 41.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.04 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -57.63 -43.09 84.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.491 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -69.79 -23.91 63.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.8 0.333 . . . . 1.0 110.769 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.4 mm -70.92 -30.86 43.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.812 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -67.06 -30.24 70.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.931 0.396 . . . . 1.0 110.43 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -72.72 -42.73 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.516 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 7.6 tpt -58.32 -38.88 78.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.699 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -62.73 -32.73 73.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.455 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.457 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -64.65 -54.44 31.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.136 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' B' ' 38' ' ' SER . 14.8 mt -44.07 -64.86 0.59 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.902 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' B' ' 37' ' ' VAL . 19.0 p -41.79 -56.1 2.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.409 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.424 ' N ' ' OG ' ' B' ' 36' ' ' SER . 98.2 t -49.38 -41.46 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.492 -179.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' SER . . . . . 0.406 ' O ' ' O ' ' B' ' 35' ' ' LEU . 22.9 t -169.4 159.18 8.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.6 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' B' ' 39' ' ' GLU . 32.9 mp0 -80.07 147.16 31.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.206 179.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.41 145.06 18.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 1.0 110.764 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -81.05 171.72 14.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.195 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.573 HG13 ' N ' ' B' ' 43' ' ' GLY . 8.0 p -52.3 -49.06 43.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.782 -0.367 . . . . 1.0 110.679 -178.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.573 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -63.06 -52.44 47.73 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.716 -0.554 . . . . 1.0 111.716 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -52.24 -29.41 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.723 0.296 . . . . 1.0 111.185 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.2 mt -73.17 -24.42 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.406 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.435 ' O ' ' N ' ' B' ' 50' ' ' ASN . 19.5 p -53.52 -24.15 12.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.763 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -67.02 -11.74 57.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.997 0.427 . . . . 1.0 110.237 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -89.88 -56.15 3.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.398 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.574 HD12 ' N ' ' B' ' 49' ' ' LEU . 9.8 mp -78.02 -26.85 48.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.122 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' B' ' 46' ' ' SER . 5.5 m120 56.59 28.67 14.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.681 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.447 ' CG ' ' H ' ' B' ' 52' ' ' SER . 5.4 tp -117.33 -138.61 0.36 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.971 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.447 ' H ' ' CG ' ' B' ' 51' ' ' LEU . 13.6 t -85.99 153.3 22.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.611 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -82.25 -43.3 17.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.987 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 28.0 t -56.68 -31.21 64.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.826 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -57.43 -39.16 75.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.616 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 t -78.8 -30.98 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.684 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 9.8 t -62.37 -45.74 91.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.515 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -66.14 -61.99 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.535 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -48.91 -53.59 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.896 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.0 tp -49.67 -29.49 7.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.887 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -67.93 -32.27 72.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.856 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.572 ' N ' HD12 ' B' ' 62' ' ' LEU . 9.9 mp -68.34 -44.91 74.25 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.831 -0.348 . . . . 1.0 110.128 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.551 ' N ' HD12 ' B' ' 63' ' ' LEU . 10.0 mp -55.82 -24.49 36.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.182 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -71.33 -24.31 62.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.427 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.413 ' O ' ' CE1' ' B' ' 67' ' ' HIS . 43.4 t -46.91 -61.29 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.771 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 13.6 m -79.99 2.28 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.545 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.444 ' C ' ' N ' ' B' ' 69' ' ' VAL . 5.9 m-70 64.94 28.23 12.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.869 -0.605 . . . . 1.0 111.419 178.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 7.3 tp -48.09 -15.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 1.0 110.377 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.444 ' N ' ' C ' ' B' ' 67' ' ' HIS . 33.0 m -150.03 -175.86 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.693 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -151.65 115.92 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.352 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' ALA . . . . . 0.489 ' HB2' ' CD2' ' B' ' 80' ' ' TYR . . . -102.6 146.53 28.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.57 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -122.17 162.29 21.6 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.033 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.411 ' H ' ' HG2' ' B' ' 73' ' ' ARG . 35.7 ptt180 -96.37 139.2 32.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.874 0.369 . . . . 1.0 110.644 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -147.91 105.34 3.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.427 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.69 -91.13 0.32 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -148.42 15.36 1.0 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 1.0 110.592 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 47.5 m -121.72 130.07 53.18 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.353 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mtp -86.92 96.3 10.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.217 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.6 tt -81.45 148.12 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.826 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.489 ' CD2' ' HB2' ' B' ' 71' ' ' ALA . 94.2 m-85 -127.01 140.88 51.98 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.555 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 51.1 m -156.5 -174.95 5.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.359 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 16.7 mt -70.97 167.2 19.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.729 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -77.87 -56.59 4.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.631 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.443 ' O ' HG23 ' B' ' 85' ' ' ILE . 6.2 m-20 -155.24 -80.41 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.915 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.443 HG23 ' O ' ' B' ' 84' ' ' ASP . 19.1 pt -156.78 -28.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.252 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -57.06 -40.94 77.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.745 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.566 HG13 ' N ' ' B' ' 88' ' ' ALA . 12.8 p -64.27 -45.49 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.548 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.566 ' N ' HG13 ' B' ' 87' ' ' VAL . . . -62.13 -25.54 67.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.542 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 18.3 m -73.67 -54.7 7.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.668 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 20.4 ttt -50.6 -55.2 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.781 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.8 tp -47.59 -59.93 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.298 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -58.9 -62.1 2.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.779 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -39.86 -36.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.575 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.4 -69.05 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 1.0 110.741 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.6 tt -56.06 -19.05 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.08 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -73.46 -18.97 61.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.268 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' HIS . . . . . 0.467 ' C ' ' H ' ' B' ' 99' ' ' ASN . 74.6 t60 -71.69 -56.24 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.175 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.13 12.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.969 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.467 ' H ' ' C ' ' B' ' 97' ' ' HIS . 23.9 t-20 -84.81 -5.34 59.33 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.464 -0.335 . . . . 1.0 110.704 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -172.7 58.97 0.24 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.453 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.414 ' C ' ' H ' ' B' ' 103' ' ' GLU . 79.5 Cg_endo -74.54 -95.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.548 2.165 . . . . 1.0 111.741 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -78.3 20.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.502 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' GLU . . . . . 0.414 ' H ' ' C ' ' B' ' 101' ' ' PRO . 7.3 tp10 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.965 -1.016 . . . . 1.0 110.624 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.341 -0.614 . . . . 1.0 109.341 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.6 p -83.21 -21.39 33.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.349 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 11' ' ' ASP . 1.9 m-20 -81.22 -25.2 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.641 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.6 p -68.95 -61.11 1.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.582 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -53.4 -32.3 48.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.883 179.673 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -71.48 -24.98 62.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.286 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -90.22 -33.91 16.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.626 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.0 t -79.23 -23.59 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.274 -177.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.522 ' OG1' ' NZ ' ' A' ' 21' ' ' LYS . 9.3 t -77.54 -29.7 52.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.522 -0.308 . . . . 1.0 111.069 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' ' 18' ' ' GLU . 7.3 pt-20 -77.69 -17.67 57.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.147 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.62 -51.03 77.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.24 -0.584 . . . . 1.0 110.146 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -64.18 -59.64 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.78 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.522 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 58.4 mttp -47.54 -30.48 3.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.766 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.61 5.98 2.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.104 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' GLY . 54.4 mt -105.17 -7.68 18.88 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.352 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -54.64 -163.81 0.01 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 t70 61.29 95.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 1.0 110.589 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -49.89 -48.12 51.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.96 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -47.13 -34.01 5.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 1.0 111.099 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -77.44 -39.1 47.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.072 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.1 mt -57.06 -41.53 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.734 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -68.67 -30.89 69.68 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.836 -0.346 . . . . 1.0 110.41 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -75.38 -20.12 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 1.0 109.932 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.498 ' O ' ' SD ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -74.29 -36.82 63.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.903 178.287 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -60.72 -32.51 71.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.31 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.39 -42.19 92.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.344 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.2 mt -75.39 -6.43 49.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.611 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -78.44 -51.23 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.704 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.4 p -77.72 -31.81 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.766 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.6 p -172.13 140.24 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.753 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -52.59 175.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.306 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.5 147.23 20.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.787 0.327 . . . . 1.0 110.72 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 t -86.43 -169.55 2.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.81 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.17 -63.49 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.856 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.71 -38.1 94.6 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.483 -0.647 . . . . 1.0 111.483 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -48.26 -32.63 7.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.654 0.264 . . . . 1.0 111.236 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 48' ' ' GLN . 95.9 mt -67.43 -41.58 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.995 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' ASN . 85.3 p -45.54 -17.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.279 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' ILE . 64.0 t-80 -96.87 -25.88 15.28 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.781 0.324 . . . . 1.0 110.884 -179.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 45' ' ' ILE . 44.6 tp60 -66.12 -45.48 80.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.898 -177.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 49' ' ' LEU . 2.2 tt -166.72 -50.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.101 0.477 . . . . 1.0 110.148 -178.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 46' ' ' SER . 29.0 m120 -72.21 175.25 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.595 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -150.55 34.22 0.63 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.055 0.455 . . . . 1.0 109.926 -179.055 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -151.26 122.43 7.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.163 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -72.57 -20.62 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.868 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.5 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 48.6 m -77.57 -31.61 53.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.681 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -69.62 -45.89 67.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.845 -179.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 57' ' ' SER . 18.0 m -73.71 -37.07 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.896 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.419 ' N ' HG23 ' A' ' 56' ' ' VAL . 13.9 t -53.48 -38.14 63.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.976 0.417 . . . . 1.0 110.464 179.061 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.5 ' CE1' ' O ' ' A' ' 54' ' ' SER . 25.5 m170 -65.37 -51.8 57.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.549 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -50.77 -52.77 37.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.16 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mp -49.21 -27.72 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.223 -178.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -68.76 -42.41 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.797 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.589 ' N ' HD12 ' A' ' 62' ' ' LEU . 9.4 mp -61.23 -29.66 69.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.705 -179.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.64 -32.01 60.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.013 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -60.37 -37.78 81.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.327 . . . . 1.0 110.767 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.4 t -59.59 -57.67 11.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.605 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.436 HG22 ' H ' ' A' ' 66' ' ' VAL . 11.5 m -73.53 6.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.749 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 62.6 m80 46.79 18.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.705 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.43 ' H ' HG23 ' A' ' 66' ' ' VAL . 45.8 tp -57.96 -15.87 10.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.481 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.3 m -147.23 176.29 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.589 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -148.62 124.35 10.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.246 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.76 160.76 14.3 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.746 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -149.32 115.33 5.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.982 -0.554 . . . . 1.0 109.999 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -60.63 148.5 38.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.22 0.533 . . . . 1.0 111.322 -175.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -153.5 81.88 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.28 -0.873 . . . . 1.0 109.877 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.17 -169.83 40.42 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.43 -1.068 . . . . 1.0 110.43 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -56.19 -17.43 7.32 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.988 -0.285 . . . . 1.0 111.071 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.4 m -98.37 141.49 31.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.772 0.32 . . . . 1.0 110.544 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -107.08 87.07 2.42 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.001 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.9 pt -91.22 159.78 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.571 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.406 ' O ' ' OG ' ' A' ' 81' ' ' SER . 36.5 p90 -146.45 -172.51 3.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.701 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 80' ' ' TYR . 17.5 m -167.94 -160.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.434 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 81' ' ' SER . 16.1 mt -59.28 -149.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.669 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -157.31 -18.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.798 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -171.34 168.95 6.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.324 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.0 pt -77.46 0.58 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.725 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -79.73 -30.26 40.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.771 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.4 t -66.93 -43.61 89.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.917 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.15 -39.43 82.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.011 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.4 p -75.78 -46.75 29.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.06 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' A' ' 90' ' ' MET . 1.0 OUTLIER -46.2 -54.33 8.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.895 -178.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.5 tp -61.84 -46.07 91.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.034 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -61.43 -63.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.358 . . . . 1.0 110.841 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -42.31 -28.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.423 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 96' ' ' HIS . . . -71.91 -66.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.866 -0.334 . . . . 1.0 110.759 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.7 mm -50.6 -13.26 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.612 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.44 ' N ' ' C ' ' A' ' 94' ' ' ALA . 7.9 t60 -73.16 -56.98 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.726 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -60.84 -21.29 63.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.726 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -42.46 -52.84 4.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.171 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.415 ' O ' ' OD1' ' A' ' 99' ' ' ASN . 26.7 t-20 -159.15 16.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.494 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 47.12 71.21 1.67 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.648 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 103' ' ' GLU . 98.6 Cg_exo -44.8 170.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.73 2.287 . . . . 1.0 112.387 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -50.84 -15.61 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.627 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 101' ' ' PRO . 69.7 mt-10 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.968 -1.015 . . . . 1.0 110.59 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.438 ' C ' ' N ' ' B' ' 11' ' ' ASP . 14.3 m120 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.251 -0.648 . . . . 1.0 109.251 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.6 p -49.3 -14.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.438 ' N ' ' C ' ' B' ' 9' ' ' ASN . 39.7 t0 -79.95 -61.62 1.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.329 179.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 51.7 p -51.62 -17.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.351 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.416 ' O ' HG22 ' B' ' 16' ' ' VAL . 17.0 tp -71.5 -57.56 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.351 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' B' ' 17' ' ' THR . 5.7 tp10 -49.18 -17.63 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.764 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -75.29 -64.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 1.0 111.035 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' VAL . . . . . 0.416 HG22 ' O ' ' B' ' 13' ' ' LEU . 13.3 m -49.92 -20.29 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.036 -177.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 81.7 p -76.14 -29.56 57.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 1.0 110.451 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -70.74 -17.06 62.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.582 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.7 -46.69 93.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.356 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -67.86 -62.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.804 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -46.89 -30.58 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.607 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.49 7.32 1.89 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.866 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tp -130.74 15.3 5.35 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.11 0.481 . . . . 1.0 109.795 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.641 ' N ' HH21 ' B' ' 28' ' ' ARG . . . -91.1 70.3 2.03 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' B' ' 24' ' ' GLY . 55.7 m-20 -161.33 112.09 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.016 0.436 . . . . 1.0 110.57 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -43.23 -60.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.806 -0.633 . . . . 1.0 111.479 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 -56.84 -30.36 63.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.734 -176.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.641 HH21 ' N ' ' B' ' 24' ' ' GLY . 25.7 ttp180 -72.02 -42.38 66.43 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.922 -0.311 . . . . 1.0 111.29 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 95.8 mt -58.17 -31.27 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.983 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.0 -34.47 57.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.032 0.444 . . . . 1.0 110.188 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.41 -32.3 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.36 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 6.8 mmt -74.33 -32.08 62.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.478 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -57.09 -35.6 69.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.465 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' B' ' 37' ' ' VAL . 13.6 tp -70.81 -51.88 23.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.419 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 49.7 mt -48.14 -23.07 0.75 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.31 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.4 p -78.53 -38.11 41.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.281 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 34' ' ' LEU . 55.4 t -82.65 -50.73 15.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.79 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 31.2 t -163.74 144.54 8.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.973 0.416 . . . . 1.0 111.251 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.58 165.98 13.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.661 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.528 ' O ' ' CZ ' ' B' ' 80' ' ' TYR . . . -156.07 156.01 33.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.567 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -94.82 178.07 5.7 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.88 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.66 -58.68 6.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.946 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.83 -37.11 89.88 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.266 -0.733 . . . . 1.0 111.266 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -75.49 -42.82 51.98 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.154 0.428 . . . . 1.0 112.154 -176.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 tp -72.47 -16.32 18.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.404 -0.518 . . . . 1.0 110.546 -177.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.434 ' O ' ' O ' ' B' ' 50' ' ' ASN . 50.8 m -63.69 -66.69 0.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.867 -0.333 . . . . 1.0 111.122 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -55.43 -16.25 3.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.946 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -88.07 3.19 49.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.018 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.47 -67.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.544 -0.462 . . . . 1.0 110.817 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 52' ' ' SER . 40.3 t30 -119.5 148.4 43.32 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.942 0.401 . . . . 1.0 110.838 -177.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.774 ' N ' HD22 ' B' ' 51' ' ' LEU . 1.2 mm? -80.88 -61.62 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.316 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.522 ' O ' ' ND2' ' B' ' 50' ' ' ASN . 31.2 t -59.27 131.18 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.844 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.504 ' H ' ' CD ' ' B' ' 53' ' ' GLN . 19.4 mp0 -80.64 -37.86 30.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.635 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 16.9 t -54.56 -28.68 47.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.963 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -73.48 -46.06 50.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.621 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.22 -40.1 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.602 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.3 t -52.68 -32.7 43.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.319 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' HIS . . . . . 0.406 ' O ' ' ND1' ' B' ' 58' ' ' HIS . 21.8 t-80 -74.71 -33.86 62.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.81 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -68.29 -58.91 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.863 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.8 mt -50.06 -27.97 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.568 -0.287 . . . . 1.0 110.74 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -76.63 -47.11 23.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.505 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 61.1 tp -48.81 -46.53 41.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.103 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.3 -25.92 64.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.523 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -75.03 -10.2 59.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.018 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' B' ' 66' ' ' VAL . 60.7 p -63.17 -61.33 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.888 -0.596 . . . . 1.0 111.074 -179.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.421 ' N ' ' OG ' ' B' ' 65' ' ' SER . 4.9 t -66.77 -71.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.911 -177.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.12 18.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.449 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 mt -103.14 149.55 24.52 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.023 -0.362 . . . . 1.0 110.023 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.612 ' H ' ' CG ' ' B' ' 83' ' ' ASP . 5.4 t 64.98 141.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.137 -177.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -135.15 174.83 10.17 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.121 -0.49 . . . . 1.0 109.895 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.05 116.86 3.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.96 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -98.27 150.94 21.0 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.315 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -81.61 118.55 22.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.002 0.429 . . . . 1.0 110.633 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -153.02 107.48 3.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 79.81 -166.38 50.43 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -77.39 30.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.716 0.293 . . . . 1.0 110.657 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.444 ' H ' ' C ' ' B' ' 75' ' ' GLY . 37.3 m -158.73 174.15 15.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.583 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 19.1 mmt -113.03 116.03 29.28 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.31 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 10.5 tp -87.05 152.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 110.136 -0.32 . . . . 1.0 110.136 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.528 ' CZ ' ' O ' ' B' ' 40' ' ' ALA . 23.1 p90 -142.97 172.32 12.85 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.716 0.293 . . . . 1.0 110.431 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' B' ' 82' ' ' LEU . 27.3 t -169.04 -161.16 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.973 0.416 . . . . 1.0 111.095 -178.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.404 ' N ' ' OG ' ' B' ' 81' ' ' SER . 17.6 tp -58.64 147.41 32.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.687 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ASP . . . . . 0.612 ' CG ' ' H ' ' B' ' 69' ' ' VAL . 5.0 m-20 -63.95 -95.86 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.684 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -100.72 -88.69 0.36 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.433 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 tt -174.77 -29.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.554 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -68.0 0.96 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.729 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 6.9 m -85.42 -33.27 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.226 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.52 -41.55 93.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.274 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 52.8 p -65.82 -36.5 83.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.312 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 3.6 mmt -67.69 -33.78 75.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.297 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.3 tp -63.88 -58.34 7.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.735 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' B' ' 93' ' ' GLN . 8.3 ptmm? -64.48 -54.29 34.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.77 -178.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' B' ' 92' ' ' LYS . 1.4 tm0? -43.88 -30.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.164 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.21 -69.36 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 1.0 111.168 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 13.4 tt -53.91 -18.64 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.908 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -76.82 -48.36 18.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.526 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -61.47 -11.4 10.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.597 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.68 -77.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.309 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -84.54 68.99 10.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.49 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.585 ' N ' ' CD ' ' B' ' 101' ' ' PRO . 21.2 t60 -76.03 -35.0 1.56 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 1.0 112.246 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' B' ' 100' ' ' HIS . 47.0 Cg_endo -89.47 176.98 2.86 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.079 1.853 . . . . 1.0 112.466 -177.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' B' ' 103' ' ' GLU . 47.6 pttt -157.81 51.51 0.44 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.546 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' B' ' 102' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.066 -0.969 . . . . 1.0 110.314 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 11' ' ' ASP . 12.6 t -86.12 -37.24 18.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.742 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 12' ' ' THR . 44.0 p30 -71.13 -21.17 62.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.647 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.482 ' N ' ' OD1' ' A' ' 11' ' ' ASP . 71.0 m -76.52 -58.17 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.532 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -44.83 -33.93 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.303 179.685 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -70.04 -49.26 53.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.982 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 17' ' ' THR . 85.0 mtm180 -62.41 -58.1 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.41 -177.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.6 m -45.61 -12.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 1.0 111.404 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 15' ' ' ARG . 10.8 m -88.25 -38.34 15.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.81 0.338 . . . . 1.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -76.9 -26.12 53.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.755 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.476 HG23 ' N ' ' A' ' 20' ' ' PHE . 10.6 tp -60.74 -40.66 85.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.601 -0.44 . . . . 1.0 110.471 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.476 ' N ' HG23 ' A' ' 19' ' ' ILE . 70.5 m-85 -65.4 -63.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.455 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -49.49 -11.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.076 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' A' ' 20' ' ' PHE . . . -54.42 -38.26 66.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.084 -178.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 23' ' ' LEU . 7.2 mp -70.48 -80.97 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 1.0 110.287 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.86 -116.5 4.26 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.406 -0.677 . . . . 1.0 111.406 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.8 p30 -59.3 163.77 3.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.03 0.443 . . . . 1.0 111.259 -177.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -87.32 -23.34 24.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.81 -0.632 . . . . 1.0 111.945 -177.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -70.91 -41.13 71.64 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.869 -0.332 . . . . 1.0 111.77 -175.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.01 -48.23 71.85 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.814 -0.355 . . . . 1.0 110.954 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.4 tt -60.75 -19.37 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.824 -0.351 . . . . 1.0 110.538 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -70.69 -30.72 67.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.069 0.461 . . . . 1.0 109.947 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.0 mt -67.53 -29.24 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.054 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.7 mmt -69.82 -31.26 69.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.369 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.17 -64.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.306 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.439 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -49.07 -54.63 15.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.158 0.504 . . . . 1.0 109.694 178.879 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -48.48 -47.71 38.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.365 179.498 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.8 t -43.77 -39.92 4.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.915 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.1 t -61.53 -63.53 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.45 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.3 t -148.76 152.74 37.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.779 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -50.01 159.01 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.299 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' ' CZ ' ' A' ' 80' ' ' TYR . . . -157.23 143.54 17.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.787 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.2 p -97.34 170.25 9.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.325 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.0 t -45.62 -49.18 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.62 -44.68 96.64 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 121.254 -0.498 . . . . 1.0 112.201 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -68.43 -36.63 79.33 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.385 0.513 . . . . 1.0 112.385 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.5 pt -69.57 -23.6 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.286 -0.565 . . . . 1.0 110.64 -177.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 50' ' ' ASN . 10.1 t -49.97 -41.0 45.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 1.0 110.665 179.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -53.76 -11.33 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.713 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' A' ' 46' ' ' SER . 7.9 tp-100 -79.94 -57.4 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.931 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.2 mt -107.48 -29.54 9.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.45 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 46' ' ' SER . 7.9 t-20 64.09 34.17 11.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.935 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 mt -97.49 -157.41 0.59 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.305 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t -74.77 136.12 41.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.565 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -67.24 -18.11 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.685 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.1 t -79.86 -27.15 40.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.644 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -75.45 -44.29 45.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.885 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 57' ' ' SER . 23.0 m -68.37 -38.19 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.751 -178.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 56' ' ' VAL . 20.2 p -59.51 -65.65 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.572 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -41.58 -34.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 1.0 111.138 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -67.59 -52.58 36.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.713 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 tp -45.37 -30.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.692 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -71.37 -40.62 70.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.909 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.18 -43.12 96.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.904 -178.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.14 -24.43 65.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.477 -0.328 . . . . 1.0 110.912 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -67.52 -20.68 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.543 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 67' ' ' HIS . 75.7 m -63.31 -57.87 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.794 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.6 m -69.39 9.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.51 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.482 ' H ' ' C ' ' A' ' 65' ' ' SER . 1.4 m-70 54.37 18.84 2.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.679 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.7 tp -65.22 -13.42 58.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.108 0.48 . . . . 1.0 110.011 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -151.14 179.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.221 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.472 ' CB ' ' NZ ' ' A' ' 70' ' ' LYS . 8.8 mtmp? -143.79 174.01 11.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.147 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.75 159.79 40.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.617 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -148.49 161.34 41.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.247 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 51.5 ttt85 -97.25 146.22 25.32 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.192 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 75' ' ' GLY . 19.9 tt0 -150.44 77.91 1.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.4 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 76' ' ' GLN . . . 31.84 103.02 0.01 OUTLIER Glycine 0 CA--C 1.526 0.776 0 CA-C-N 115.635 -0.711 . . . . 1.0 112.823 177.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 24.3 tp60 88.02 -60.1 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 122.704 0.402 . . . . 1.0 111.29 176.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.1 p -115.42 150.51 36.29 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.874 0.368 . . . . 1.0 110.699 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -113.75 98.86 7.29 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.268 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.711 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.7 mp -78.24 162.14 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.159 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.519 ' N ' HG22 ' A' ' 79' ' ' ILE . 11.2 p90 -149.62 174.68 12.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.358 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 m -162.3 -169.72 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.638 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.573 ' N ' HD12 ' A' ' 82' ' ' LEU . 9.2 mp -61.4 -106.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.354 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -159.05 -95.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.019 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -96.4 -75.23 0.54 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.188 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -178.16 -26.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.018 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -54.64 -62.29 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.462 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.5 m -45.38 -34.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.235 -176.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.55 -52.62 54.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 1.0 110.815 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.412 ' OG1' ' OE1' ' B' ' 93' ' ' GLN . 52.3 p -57.63 -39.95 78.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.89 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.5 ttm -45.64 -46.65 14.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.762 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.5 tp -57.56 -44.6 85.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.19 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.54 -61.27 2.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.274 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -44.93 -20.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.589 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.99 -64.26 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.968 -178.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.616 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.6 mp -61.97 -5.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.633 -0.506 . . . . 1.0 109.633 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -75.63 -47.48 26.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.516 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -61.14 -60.59 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.463 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.26 -31.55 6.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.627 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -79.69 59.97 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.915 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -156.7 67.25 4.28 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.314 179.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -46.32 161.52 0.16 Allowed 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.639 2.226 . . . . 1.0 112.297 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -172.34 92.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.416 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.06 -0.972 . . . . 1.0 110.494 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 63.8 p -52.9 -23.11 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.581 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -71.73 -63.73 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.704 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.0 t -61.66 -28.82 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.77 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.0 tp -52.73 -59.03 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.57 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -67.11 -19.64 65.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.244 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -65.85 -20.81 66.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.653 -0.419 . . . . 1.0 110.052 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 95.7 t -67.06 -23.6 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.334 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 72.4 p -86.03 -31.52 21.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.621 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.03 -37.38 87.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.429 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ILE . . . . . 0.436 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 20.2 pt -76.92 -32.42 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.205 178.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -70.1 -60.63 2.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.165 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -52.28 -21.85 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.509 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -47.16 -27.47 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.993 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -73.31 -72.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.613 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.22 -105.9 1.17 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.33 -0.708 . . . . 1.0 111.33 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -47.17 143.24 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 1.0 110.984 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.515 ' CE1' ' OD1' ' B' ' 27' ' ' ASN . 18.3 p90 -79.1 -27.59 42.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.682 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.515 ' OD1' ' CE1' ' B' ' 26' ' ' TYR . 5.2 m120 -56.22 -34.32 66.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.558 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -67.26 -24.25 65.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.696 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 44.6 mm -77.05 -29.21 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.899 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -67.24 -31.66 72.16 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.182 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 8.3 mm -65.27 -45.57 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.185 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 34.6 ttm -56.94 -39.86 75.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.733 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -59.32 -35.31 73.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.644 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.86 -60.93 2.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.279 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 mt -50.02 -21.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.55 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.455 ' OG ' ' N ' ' B' ' 37' ' ' VAL . 14.0 p -68.36 -57.43 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.903 0.382 . . . . 1.0 110.4 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.455 ' N ' ' OG ' ' B' ' 36' ' ' SER . 19.8 t -55.8 -40.58 62.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.383 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 52.7 p -170.04 147.17 3.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.407 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.568 ' H ' ' CD ' ' B' ' 39' ' ' GLU . 14.3 mp0 -62.53 164.59 7.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 1.0 110.638 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.13 142.48 17.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.418 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 62.4 p -83.93 -177.25 6.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.539 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.473 ' O ' HG22 ' B' ' 45' ' ' ILE . 96.1 t -63.46 -60.92 2.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.741 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.89 -25.31 9.39 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.472 -0.651 . . . . 1.0 111.472 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.27 -11.62 60.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.066 -0.253 . . . . 1.0 111.192 -178.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ILE . . . . . 0.473 HG22 ' O ' ' B' ' 42' ' ' VAL . 9.3 tp -70.47 -26.11 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.968 0.413 . . . . 1.0 110.846 -178.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -57.69 -17.38 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.13 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -78.98 -24.92 43.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.304 . . . . 1.0 110.751 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.475 ' N ' ' CD ' ' B' ' 48' ' ' GLN . 14.7 mp0 -88.52 -57.71 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.925 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 15.0 mt -98.16 -47.78 5.35 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.252 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 61.26 63.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.921 -0.399 . . . . 1.0 109.921 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 17.4 tp -134.71 -70.91 0.49 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.595 -177.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 70.6 m -157.43 133.06 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.47 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -74.67 -41.19 60.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 1.0 110.629 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.7 m -57.7 -34.51 69.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.664 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -63.63 -43.4 96.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.463 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 85.2 t -70.81 -35.84 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.901 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.1 p -59.18 -34.83 72.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 1.0 110.551 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -78.98 -34.89 43.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.763 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -75.79 -51.11 13.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.93 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.529 ' O ' HD13 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -51.28 -34.84 34.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.02 0.438 . . . . 1.0 110.04 -179.719 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -67.85 -35.57 78.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.911 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.09 -27.43 69.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.397 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.9 mt -79.33 -23.78 43.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.615 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -66.35 -31.84 72.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.543 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 89.5 p -51.6 -60.76 2.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.49 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.542 HG22 ' O ' ' B' ' 66' ' ' VAL . 2.6 p -67.2 0.31 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.254 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 41.8 m80 55.5 21.39 4.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.859 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.415 ' H ' HG13 ' B' ' 66' ' ' VAL . 37.0 tp -59.24 -13.04 6.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.175 0.512 . . . . 1.0 109.739 178.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -147.73 177.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.116 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -154.38 132.69 11.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.489 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.83 156.72 17.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.418 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -118.25 139.2 51.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.096 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' ARG . . . . . 0.407 ' H ' ' HG3' ' B' ' 73' ' ' ARG . 2.2 ppt_? -88.75 128.31 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.341 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -152.67 88.58 1.35 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.255 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.13 -153.4 32.3 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -81.92 9.44 8.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.548 0.213 . . . . 1.0 110.906 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 53.0 m -129.45 150.12 50.94 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.924 0.392 . . . . 1.0 110.52 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -119.71 148.37 43.47 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.222 179.806 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 77.6 mt -124.28 147.66 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.11 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -118.53 150.05 40.29 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.623 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 13.4 m -159.17 -171.38 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.281 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 22.0 mt -74.22 158.68 33.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.494 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -66.66 -49.4 66.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.622 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -157.29 -164.55 1.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.346 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 16.4 pt -86.99 9.86 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.802 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -81.06 -73.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.708 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.0 m -45.97 -21.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.013 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.49 -61.48 2.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.716 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 71.3 m -62.65 -24.48 67.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.768 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' B' ' 90' ' ' MET . 8.5 tmm? -64.2 -57.52 9.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.428 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 30.0 tp -49.59 -40.81 40.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.43 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.22 -60.84 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.412 ' OE1' ' OG1' ' A' ' 89' ' ' THR . 8.4 tt0 -49.47 -20.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.07 -177.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.37 -67.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.735 0.303 . . . . 1.0 110.811 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.5 tt -52.02 -15.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.338 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -74.27 -42.03 60.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.437 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -65.54 -18.3 65.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.357 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.54 -72.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.494 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -76.28 102.2 5.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.344 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -160.91 58.8 1.05 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.534 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.88 148.43 35.88 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.593 2.196 . . . . 1.0 112.209 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -78.04 106.19 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.302 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.969 -1.015 . . . . 1.0 110.665 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.811 ' N ' ' HG1' ' A' ' 12' ' ' THR . 7.5 p30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.265 -0.643 . . . . 1.0 109.265 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.467 ' H ' ' CG ' ' A' ' 9' ' ' ASN . 64.0 p -78.31 -31.08 48.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.447 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -80.92 -18.49 46.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.45 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.811 ' HG1' ' N ' ' A' ' 9' ' ' ASN . 35.8 m -76.61 -67.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.676 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.473 ' N ' HD12 ' A' ' 13' ' ' LEU . 7.8 mp -50.4 -23.2 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 1.0 109.917 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -65.68 -55.73 15.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.403 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.5 ttm105 -66.61 -46.05 77.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.758 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 19' ' ' ILE . 66.0 t -49.8 -16.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.764 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.2 m -91.71 -33.15 15.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.548 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -81.21 -20.46 41.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.156 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.536 HG23 ' N ' ' A' ' 20' ' ' PHE . 18.2 tt -59.35 -45.82 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.841 -0.343 . . . . 1.0 110.446 -179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.536 ' N ' HG23 ' A' ' 19' ' ' ILE . 72.7 m-85 -70.22 -52.34 23.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.356 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -43.54 -35.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.289 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.57 -25.2 67.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.306 -0.407 . . . . 1.0 111.394 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.553 ' N ' HD12 ' A' ' 23' ' ' LEU . 7.0 mp -93.04 20.17 7.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.347 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.68 -55.47 6.6 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -46.71 109.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 1.0 110.77 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -50.0 -42.22 48.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.186 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 24.1 p30 -67.02 -30.3 70.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.356 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.513 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 37.8 ttm180 -72.02 -44.64 63.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.455 -177.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.7 pt -67.53 -24.04 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.642 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -68.96 -29.17 67.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.668 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 mm -65.91 -66.45 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.767 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -43.87 -39.71 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.071 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -53.38 -48.61 68.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.656 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.0 tp -57.49 -49.09 77.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.18 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.568 ' N ' HD12 ' A' ' 35' ' ' LEU . 9.7 mp -63.23 -8.02 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.467 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.525 ' OG ' ' N ' ' A' ' 37' ' ' VAL . 6.5 p -74.33 -61.67 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.428 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.525 ' N ' ' OG ' ' A' ' 36' ' ' SER . 18.1 t -63.81 -40.94 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.392 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 m -159.34 134.57 8.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.19 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.567 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 3.8 mp0 -49.2 175.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.374 . . . . 1.0 110.693 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.3 137.4 12.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.363 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.425 ' O ' ' CD1' ' A' ' 45' ' ' ILE . 90.0 p -84.62 -162.51 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.63 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.1 t -80.66 -64.73 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.61 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.01 -44.45 95.88 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.172 -0.537 . . . . 1.0 111.832 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -48.32 -28.06 2.91 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.758 -0.26 . . . . 1.0 111.45 -177.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' GLN . 86.8 mt -75.65 -34.64 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.885 -0.326 . . . . 1.0 110.932 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -44.43 -39.29 4.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.706 0.288 . . . . 1.0 111.111 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.543 ' ND1' ' N ' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -75.56 -19.85 59.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.919 -178.786 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' ILE . 86.3 mm-40 -77.74 -57.36 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.0 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -86.79 -7.33 58.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.87 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.419 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 1.7 m-20 50.59 79.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.213 -178.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 tp -172.32 -153.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.1 p -84.48 153.31 23.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.808 0.337 . . . . 1.0 110.293 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.625 ' CD ' ' H ' ' A' ' 53' ' ' GLN . 3.5 pm0 -82.31 -17.36 46.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.894 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.9 p -76.55 -25.58 54.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.633 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.576 ' O ' ' NE2' ' A' ' 59' ' ' GLN . 15.7 t-20 -62.3 -44.11 97.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.886 -179.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -77.15 -33.25 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.731 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 p -54.27 -33.81 59.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.415 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 61' ' ' LYS . 29.3 m170 -74.78 -54.13 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.823 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.576 ' NE2' ' O ' ' A' ' 55' ' ' ASN . 0.9 OUTLIER -47.26 -42.33 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.219 -179.067 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.87 -19.48 61.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.552 -0.294 . . . . 1.0 110.772 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' HIS . 78.2 tttt -68.8 -42.41 77.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 1.0 110.347 179.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.4 tt -61.86 -55.12 33.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.202 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 mt -48.98 -34.58 13.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.741 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -58.88 -34.58 71.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.535 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.9 t -71.58 -52.02 20.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.536 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.0 t -67.36 -9.88 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.418 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.463 ' C ' ' N ' ' A' ' 69' ' ' VAL . 47.2 m-70 59.85 10.04 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.973 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.8 tp -47.6 -17.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.98 0.419 . . . . 1.0 110.231 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.463 ' N ' ' C ' ' A' ' 67' ' ' HIS . 33.7 m -147.87 -178.93 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.377 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -130.76 174.02 10.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.209 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.47 159.34 38.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.332 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -137.08 147.04 45.84 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.381 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -90.88 133.6 35.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.492 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -149.33 102.6 3.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.186 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 70.46 -165.77 51.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.458 -1.057 . . . . 1.0 110.458 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.82 14.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 1.0 110.539 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 75' ' ' GLY . 44.6 t -120.6 136.14 54.9 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.373 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.482 ' SD ' ' OH ' ' A' ' 80' ' ' TYR . 16.6 ttt -97.91 99.61 10.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.24 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.4 mm -81.5 152.45 4.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.063 0.459 . . . . 1.0 111.008 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.482 ' OH ' ' SD ' ' A' ' 78' ' ' MET . 70.7 m-85 -133.21 149.67 52.01 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.749 -0.659 . . . . 1.0 109.952 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 m -159.56 -171.35 3.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.515 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.608 ' N ' HD12 ' A' ' 82' ' ' LEU . 8.6 mp -83.66 178.13 8.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.145 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -79.14 -105.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.342 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -107.92 -65.85 1.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.012 0.434 . . . . 1.0 110.256 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.7 tt -170.01 -24.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.573 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -49.4 -34.08 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.602 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 88' ' ' ALA . 33.6 m -77.1 -40.19 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.752 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -59.06 -61.51 2.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.649 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 34.3 m -47.84 -38.3 15.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.794 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.1 ttt -55.54 -42.63 74.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.746 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.5 tp -60.75 -51.3 69.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.436 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -60.78 -61.37 2.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.815 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -39.61 -33.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.701 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.35 -66.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.319 . . . . 1.0 111.076 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.6 mm -54.83 -15.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.755 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 96' ' ' HIS . 23.4 t-160 -76.32 -38.49 55.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.865 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.515 ' O ' ' NE2' ' A' ' 100' ' ' HIS . 63.7 t60 -80.96 -20.13 42.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.9 -179.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.33 -70.69 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.826 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.511 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 6.7 m-80 -73.96 150.44 40.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.056 -178.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.515 ' NE2' ' O ' ' A' ' 97' ' ' HIS . 81.8 m-70 -160.42 67.3 2.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.413 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -46.55 -69.95 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.829 2.352 . . . . 1.0 112.654 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 62.3 tttm 51.11 94.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.541 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.968 -1.015 . . . . 1.0 110.541 179.788 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' B' ' 11' ' ' ASP . 17.6 t-20 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.46 -0.571 . . . . 1.0 109.46 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.6 m -47.48 -16.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.593 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' B' ' 9' ' ' ASN . 5.2 m-20 -78.18 -39.38 40.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.511 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -61.8 -34.37 75.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.568 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LEU . . . . . 0.567 ' N ' HD12 ' B' ' 13' ' ' LEU . 7.0 mp -70.8 -25.28 62.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.07 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -76.39 -37.5 57.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.722 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 56.8 mtm180 -67.84 -57.04 6.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.914 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 29.5 m -46.28 -35.17 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.706 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 15.0 m -62.74 -39.19 93.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.755 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -63.09 -30.35 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.725 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 mm -71.09 -31.26 44.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.059 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -80.94 -65.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.531 -0.304 . . . . 1.0 111.29 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -48.03 -25.76 1.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.705 -0.398 . . . . 1.0 110.807 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.24 -28.6 69.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.935 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 mt -80.68 0.09 35.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.616 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.44 179.84 0.05 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.85 121.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.84 0.352 . . . . 1.0 110.579 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -67.81 -11.17 57.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.805 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -70.62 -43.54 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.939 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -73.04 -22.58 60.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.948 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 5.9 mm -73.27 -36.64 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.986 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -77.05 -34.61 57.18 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.905 -0.318 . . . . 1.0 110.953 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.38 -25.71 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.301 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 30.6 tpp -74.97 -30.09 61.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.504 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -59.79 -35.46 74.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.487 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.469 ' CD2' ' N ' ' B' ' 34' ' ' LEU . 3.4 mm? -67.0 -55.04 16.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.324 179.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.74 -13.49 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.764 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' B' ' 37' ' ' VAL . 11.8 p -81.64 -59.49 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.857 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.485 ' N ' ' OG ' ' B' ' 36' ' ' SER . 32.1 m -67.18 -38.49 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.031 -178.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' SER . . . . . 0.423 ' N ' HG23 ' B' ' 37' ' ' VAL . 28.1 t -169.45 147.73 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.863 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.65 164.31 23.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.614 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.2 153.37 29.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.439 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.41 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 87.8 p -93.18 169.61 10.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.355 179.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 93.6 t -56.19 -55.55 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.965 0.412 . . . . 1.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.1 -37.48 92.89 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.731 -0.747 . . . . 1.0 111.288 -178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.41 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 0.5 OUTLIER -72.94 -39.35 66.29 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.329 0.492 . . . . 1.0 112.329 -175.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 20.9 tt -76.48 -16.06 14.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.469 -0.492 . . . . 1.0 110.968 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.406 ' O ' ' N ' ' B' ' 50' ' ' ASN . 91.0 p -60.48 -28.0 68.01 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.701 -0.4 . . . . 1.0 110.497 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -70.28 -13.5 62.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.482 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -89.56 -54.1 4.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.358 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.593 ' N ' HD22 ' B' ' 49' ' ' LEU . 3.4 mm? -77.34 -37.29 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.043 -0.355 . . . . 1.0 110.043 178.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' B' ' 46' ' ' SER . 44.9 t-20 56.61 67.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.385 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' B' ' 52' ' ' SER . 15.3 tp -174.15 107.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.336 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.43 ' C ' ' O ' ' B' ' 51' ' ' LEU . 41.8 t 5.61 112.71 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.729 1.268 . . . . 1.0 113.934 -177.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -38.76 -38.82 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.657 -0.702 . . . . 1.0 111.641 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 17.3 t -44.08 -32.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.924 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -68.11 -42.83 79.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.843 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 89.8 t -74.31 -40.6 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.969 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 18.7 m -49.25 -35.03 16.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.951 0.405 . . . . 1.0 110.386 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -74.77 -58.15 3.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.875 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -42.4 -57.57 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.386 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.507 ' N ' HD12 ' B' ' 60' ' ' LEU . 7.6 mp -59.74 -22.91 62.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.931 -178.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -68.75 -40.76 79.66 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.69 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.547 ' N ' HD12 ' B' ' 62' ' ' LEU . 9.9 mp -64.34 -48.11 76.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.486 -0.324 . . . . 1.0 110.196 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 16.1 mt -56.36 -35.55 67.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -55.07 -41.06 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.759 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 25.1 p -63.22 -51.89 64.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.601 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.6 t -66.73 -5.84 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.482 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 27.0 m80 57.37 13.01 1.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.799 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.469 HD13 ' O ' ' B' ' 68' ' ' LEU . 0.2 OUTLIER -56.68 -15.45 4.53 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.459 -0.571 . . . . 1.0 109.459 179.739 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.4 m -153.11 -173.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.893 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -155.95 174.79 14.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 1.0 110.854 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -147.55 169.48 19.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.056 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -148.88 160.28 43.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.917 0.389 . . . . 1.0 110.915 -178.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -91.41 138.46 31.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.894 -0.594 . . . . 1.0 109.646 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -152.91 89.2 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 1.0 110.689 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 69.95 56.6 7.92 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 54.26 7.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.311 . . . . 1.0 110.628 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' SER . . . . . 0.474 ' H ' ' C ' ' B' ' 75' ' ' GLY . 8.5 t -113.68 109.61 18.86 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.428 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.33 137.99 32.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.409 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.8 pt -138.83 160.78 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.077 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -118.11 147.85 42.89 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.918 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 56.5 m -153.41 -177.97 6.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.059 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.416 ' C ' HD12 ' B' ' 82' ' ' LEU . 0.3 OUTLIER -81.1 179.39 7.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.84 0.352 . . . . 1.0 110.507 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.6 -69.24 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.179 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -146.03 -71.54 0.25 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.976 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 pt -155.25 -35.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.451 -0.34 . . . . 1.0 110.405 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -47.82 -47.04 31.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.619 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.46 -46.44 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.649 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.93 -46.43 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.866 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 8.6 m -62.36 -31.3 71.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.571 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 55.1 ttm -61.41 -31.28 71.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.553 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.36 -46.45 76.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.336 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' LYS . . . . . 0.497 ' CD ' ' N ' ' B' ' 92' ' ' LYS . 3.3 mptp? -72.5 -62.57 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.396 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -37.35 -35.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.752 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.77 -66.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.66 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.8 mm -59.74 -10.86 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.58 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -76.43 -47.16 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.935 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -77.73 -12.39 59.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.78 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.15 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.518 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -79.96 142.36 35.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.233 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -162.03 61.65 1.28 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.77 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -77.93 -175.54 2.75 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.671 2.248 . . . . 1.0 111.92 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -162.17 -41.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.56 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 . . . . . 0 C--O 1.219 -0.553 0 CA-C-O 118.098 -0.953 . . . . 1.0 110.497 -179.933 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.817 ' N ' HD21 ' A' ' 9' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.1 m -45.44 -24.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.864 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.18 -36.39 77.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.993 0.425 . . . . 1.0 110.439 179.355 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' GLU . 70.2 p -72.55 -54.6 8.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.605 -179.887 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.5 tp -39.98 -26.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.084 -179.074 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' THR . 51.5 mt-10 -80.39 -47.17 14.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.56 179.177 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' THR . 49.8 mtm180 -73.89 -21.36 60.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.037 -178.566 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.452 ' O ' HG22 ' A' ' 19' ' ' ILE . 76.8 t -71.87 -28.59 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.903 -178.785 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 17' ' ' THR . 2.2 t -91.48 -31.31 16.02 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.667 0.27 . . . . 1.0 110.957 -179.549 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.53 -15.44 62.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.495 -0.32 . . . . 1.0 111.024 -178.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 20' ' ' PHE . 13.5 tt -68.42 -41.98 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 1.0 110.619 -179.214 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.455 ' N ' HG23 ' A' ' 19' ' ' ILE . 45.0 m-85 -74.6 -55.61 5.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.03 -178.757 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -46.09 -40.64 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.036 -178.496 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.82 -21.48 4.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.852 -178.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -95.83 13.53 26.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.868 -179.147 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.27 70.97 1.81 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -165.82 107.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.752 0.31 . . . . 1.0 110.26 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 27.4 p90 -43.63 -44.93 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.073 -179.266 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.537 ' N ' ' CD2' ' A' ' 26' ' ' TYR . 3.9 t-20 -52.24 -32.58 37.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.953 -179.392 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.3 tpp85 -75.79 -52.05 11.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.401 -177.556 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.593 ' N ' HD12 ' A' ' 29' ' ' ILE . 1.9 mp -46.2 -40.35 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.895 -0.322 . . . . 1.0 110.501 -177.199 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.523 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 26.9 ttm105 -72.33 -33.11 67.1 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.717 -0.393 . . . . 1.0 111.083 -177.769 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.9 mt -72.65 -39.14 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.368 178.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.461 ' SD ' HD13 ' A' ' 91' ' ' LEU . 9.6 ttt -64.34 -39.06 93.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.701 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.71 -33.98 68.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.993 0.425 . . . . 1.0 110.354 179.509 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.469 HD23 ' C ' ' A' ' 34' ' ' LEU . 2.2 tt -67.7 -65.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.369 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.7 mt -47.36 -16.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.73 -178.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 34' ' ' LEU . 5.5 p -69.88 -50.67 40.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.356 . . . . 1.0 110.187 178.906 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.1 t -66.31 -61.58 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.474 179.109 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.6 m -147.0 154.14 40.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.827 -178.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.571 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 13.7 mp0 -62.48 168.26 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.702 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.12 144.6 18.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.536 179.534 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 m -81.41 168.71 18.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.254 178.717 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -54.76 -56.81 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.794 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.29 -34.42 87.96 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.698 -0.561 . . . . 1.0 111.698 -177.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 7.1 t-80 -59.44 -26.88 65.57 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.749 -0.381 . . . . 1.0 110.819 -178.181 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.4 mt -74.33 -23.11 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.884 -179.055 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 50' ' ' ASN . 63.6 m -56.63 -11.84 1.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.925 -0.31 . . . . 1.0 111.306 -178.071 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.586 ' ND1' ' N ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -92.77 -17.29 24.35 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.829 0.347 . . . . 1.0 110.785 -178.865 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.586 ' N ' ' ND1' ' A' ' 47' ' ' HIS . 59.5 tt0 -72.67 -56.0 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.03 -178.019 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.445 HD23 HD22 ' A' ' 27' ' ' ASN . 33.2 tp -161.28 -33.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.407 -178.77 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 46' ' ' SER . 4.3 m120 -83.17 168.09 17.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.168 179.012 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.637 HD23 ' H ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER -150.63 32.08 0.64 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.098 0.475 . . . . 1.0 110.983 -177.748 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.8 t -149.2 97.59 2.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.346 177.413 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -50.37 -22.04 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.137 -178.74 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -80.29 -37.64 32.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.107 -178.592 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -68.9 -41.72 77.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.246 -177.796 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.3 m -72.78 -31.12 35.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.909 -0.316 . . . . 1.0 110.8 -178.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.4 m -58.51 -66.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 1.0 110.437 179.211 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' A' ' 58' ' ' HIS . 2.5 m-70 -45.59 -35.19 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -66.15 -63.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.709 -179.168 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.2 mt -48.67 -24.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.693 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -70.24 -38.02 75.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.686 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.63 -32.94 73.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.163 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.592 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.4 mp -73.41 -24.88 60.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.264 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -62.06 -34.39 76.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.55 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.1 t -69.13 -31.14 69.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.505 179.642 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 t -78.87 3.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 7.7 m80 67.49 10.45 7.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.466 178.005 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.431 ' O ' ' OD2' ' A' ' 83' ' ' ASP . 66.8 mt -75.93 -112.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.431 179.459 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.422 ' H ' HG13 ' A' ' 69' ' ' VAL . 7.9 m -46.56 164.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 1.0 110.898 -179.107 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -151.77 142.07 22.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.008 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.85 141.07 36.28 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.923 0.392 . . . . 1.0 110.851 -178.278 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -102.28 129.4 48.69 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.186 178.296 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -82.23 114.39 20.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.851 -179.655 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 76' ' ' GLN . 92.8 mt-30 -122.75 134.85 54.43 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.182 179.319 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.69 70.61 0.02 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.178 -0.769 . . . . 1.0 111.178 -179.309 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 74' ' ' GLN . 9.2 pt20 174.68 -57.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.492 -0.559 . . . . 1.0 109.492 177.913 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.9 t -154.26 179.46 8.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.799 -179.425 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.2 ptt? -114.2 144.64 42.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.145 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.0 pt -138.94 161.84 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.234 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -122.83 156.5 34.43 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.181 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 42.3 t -158.97 -166.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.503 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.426 ' N ' ' OG ' ' A' ' 81' ' ' SER . 20.6 mt -78.99 162.14 26.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.797 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 68' ' ' LEU . 1.2 m-20 -79.68 -63.22 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.575 179.858 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.497 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 19.7 t0 -165.22 -165.65 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.2 -179.384 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.497 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 26.8 pt -76.83 26.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.3 . . . . 1.0 110.931 -179.255 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.436 ' H ' ' C ' ' A' ' 84' ' ' ASP . 4.8 m80 -111.83 -36.76 5.33 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.863 0.363 . . . . 1.0 110.415 -179.665 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 88' ' ' ALA . 14.9 p -86.54 -36.11 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.802 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.428 ' N ' HG13 ' A' ' 87' ' ' VAL . . . -63.11 -38.57 91.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.857 -178.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.5 p -76.53 -33.49 58.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.696 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 42.9 ttp -69.15 -35.62 76.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.873 -178.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.461 HD13 ' SD ' ' A' ' 32' ' ' MET . 54.8 tp -64.72 -52.45 57.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.3 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.96 -57.0 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.831 -179.22 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -43.42 -27.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.05 -178.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.45 -66.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 1.0 110.681 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.1 mt -57.23 -27.75 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.396 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -55.88 -51.18 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.485 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.433 ' O ' ' NE2' ' A' ' 100' ' ' HIS . 73.5 t60 -51.76 -59.82 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.559 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.72 -56.75 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.691 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -73.1 161.03 31.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.711 -179.505 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.433 ' NE2' ' O ' ' A' ' 97' ' ' HIS . 90.2 m-70 -155.1 72.18 5.71 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.493 -179.367 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -84.16 137.46 7.28 Favored 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.752 2.301 . . . . 1.0 112.302 -178.74 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -150.91 138.57 19.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.361 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.067 -0.968 . . . . 1.0 110.365 -179.857 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.706 ' N ' HD21 ' B' ' 9' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.403 -0.591 . . . . 1.0 109.403 . . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 75.4 p -84.82 -25.89 27.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.536 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -66.44 -35.64 80.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.443 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.5 p -76.09 -46.0 31.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.816 -179.307 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 18.0 tp -52.79 -16.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.365 -179.19 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.21 -44.77 12.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.332 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.53 -49.69 76.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.294 -178.399 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 15.1 m -47.11 -20.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.968 -177.844 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 8.6 p -91.31 -39.0 12.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.794 0.331 . . . . 1.0 110.841 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -68.53 -22.65 64.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.669 -176.723 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 pt -73.1 -29.25 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.612 -0.435 . . . . 1.0 110.91 -178.621 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -76.26 -63.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.324 . . . . 1.0 110.851 -179.672 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -49.74 -23.67 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.875 -179.205 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.3 -31.1 42.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.235 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.428 ' C ' HD12 ' B' ' 23' ' ' LEU . 1.7 pp -119.06 39.13 3.62 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.71 0.29 . . . . 1.0 110.937 -178.636 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.49 -72.32 0.78 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.124 -0.79 . . . . 1.0 111.124 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -45.27 140.84 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 1.0 110.825 -179.351 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -66.19 -11.03 47.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.88 -178.769 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -84.08 -44.21 14.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 1.0 111.152 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.405 ' HA ' ' HE ' ' B' ' 28' ' ' ARG . 0.0 OUTLIER -69.59 -29.86 67.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.593 -178.306 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 14.0 tt -79.73 -27.73 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.902 -0.319 . . . . 1.0 111.108 -178.303 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -71.15 -32.9 69.52 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.06 -0.256 . . . . 1.0 111.022 -178.431 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 19.3 pt -74.76 -29.76 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.062 179.252 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' MET . . . . . 0.445 ' C ' ' SD ' ' B' ' 32' ' ' MET . 0.6 OUTLIER -71.8 -40.24 69.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.293 179.041 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -58.48 -35.16 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.806 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 28.7 tp -66.22 -41.88 89.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.475 -179.241 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 36.5 mt -69.15 -9.45 52.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -80.47 -42.43 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.356 . . . . 1.0 110.247 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -81.39 -37.01 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.716 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 74.5 m -168.54 152.25 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.788 -179.559 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.577 ' H ' ' CD ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -70.65 161.58 30.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.785 -179.905 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.19 147.38 20.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.634 -179.719 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.4 m -82.06 165.95 20.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.526 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 46.2 t -54.28 -55.59 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.915 -179.564 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.58 -26.9 67.22 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.057 -0.817 . . . . 1.0 111.057 -179.11 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 44' ' ' HIS . . . . . 0.431 ' O ' ' ND1' ' B' ' 44' ' ' HIS . 62.1 t-80 -72.99 -20.58 61.0 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.057 -0.257 . . . . 1.0 111.053 -178.802 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 93.8 mt -84.69 -27.87 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.6 0.238 . . . . 1.0 110.688 -179.645 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.497 ' O ' ' N ' ' B' ' 50' ' ' ASN . 93.5 p -48.22 -44.36 33.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 1.0 110.864 -179.008 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -57.88 -15.15 7.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.875 -179.147 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -84.0 -49.8 8.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.59 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 71.9 mt -137.29 49.19 2.02 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.499 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' B' ' 46' ' ' SER . 64.1 t30 39.81 -123.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.644 177.848 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mp 48.36 -168.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.651 -0.499 . . . . 1.0 109.651 -178.018 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 63.7 m -151.75 176.23 11.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.01 0.433 . . . . 1.0 111.054 -178.284 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.41 ' O ' ' OG ' ' B' ' 57' ' ' SER . 59.3 tt0 -46.87 -37.09 8.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.604 -0.726 . . . . 1.0 111.3 -178.687 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.0 p -54.86 -54.42 42.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 1.0 111.035 -178.609 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -75.82 -40.15 55.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.141 -178.262 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.79 -42.18 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.363 -177.704 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' B' ' 53' ' ' GLN . 89.9 p -61.68 -29.89 70.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 1.0 110.594 -179.403 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -43.65 32.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.252 179.196 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.25 -47.8 80.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.43 179.038 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.523 ' O ' HD13 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -54.9 -35.47 64.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.327 -179.724 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -58.86 -31.98 69.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.98 -44.3 69.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.538 ' N ' HD12 ' B' ' 63' ' ' LEU . 7.7 mp -61.48 -35.45 77.68 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.103 -0.332 . . . . 1.0 110.103 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -55.44 -46.04 76.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.578 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.3 t -53.0 -47.94 67.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.604 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.439 HG23 ' H ' ' B' ' 66' ' ' VAL . 3.3 t -62.22 -6.12 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.332 179.685 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 67' ' ' HIS . . . . . 0.493 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 56.5 t-80 61.67 14.7 6.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.294 -179.73 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tp -79.11 -13.46 59.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.538 -179.276 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.523 HG12 ' N ' ' B' ' 70' ' ' LYS . 56.1 t -141.9 159.94 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 120.883 0.373 . . . . 1.0 110.75 -178.816 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.523 ' N ' HG12 ' B' ' 69' ' ' VAL . 87.2 tttt -138.51 152.91 48.67 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.123 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.71 119.74 39.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.865 0.364 . . . . 1.0 110.683 -178.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -97.51 119.89 36.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.311 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 63.8 mtt85 -80.0 110.88 15.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.552 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -137.33 93.18 2.78 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.118 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.43 -155.57 53.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.519 -1.032 . . . . 1.0 110.519 -178.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -73.42 -8.18 54.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 1.0 110.631 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 90.3 p -97.37 133.84 41.44 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.764 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 75.4 mtp -97.94 91.04 5.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.258 178.831 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 44.7 mt -82.54 145.05 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.986 0.422 . . . . 1.0 110.888 -178.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -120.47 153.78 36.15 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.01 178.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 13.2 m -161.15 -166.54 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.703 -179.722 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 22.2 mt -78.55 166.06 23.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.518 -179.73 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.42 -42.04 17.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.981 -179.42 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.478 ' O ' HG23 ' B' ' 85' ' ' ILE . 52.4 m-20 -158.31 -81.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.774 0.321 . . . . 1.0 111.538 -178.358 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.478 HG23 ' O ' ' B' ' 84' ' ' ASP . 18.5 pt -158.51 -34.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.44 -179.669 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -50.67 -31.08 15.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.817 -178.139 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 6.9 t -65.13 -45.65 93.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.741 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.06 -60.4 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.969 -178.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 72.6 p -45.75 -22.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.057 -178.681 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 90' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' B' ' 90' ' ' MET . 1.6 tmt? -74.38 -65.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.749 -178.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.5 tp -49.99 -30.69 11.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.948 -178.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -66.58 -69.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.151 -178.429 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -53.45 -17.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.651 -176.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.36 -64.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 1.0 110.856 -179.02 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 69.9 mt -56.01 -18.25 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.496 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.92 -35.96 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.852 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 57.9 t-80 -61.59 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.529 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -43.01 -76.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.807 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.45 ' O ' ' ND2' ' B' ' 99' ' ' ASN . 0.9 OUTLIER -81.29 125.75 30.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.306 178.624 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -163.64 67.78 1.62 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.7 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -49.17 -69.0 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.788 2.325 . . . . 1.0 112.484 -179.489 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -168.57 153.17 6.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.485 -179.149 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.982 -1.009 . . . . 1.0 110.556 -179.788 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.844 0.354 . . . . 2.31 110.626 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -63.29 -43.09 98.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 2.81 110.618 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.935 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.3 p -63.15 -51.24 67.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 2.03 110.579 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 13' ' ' LEU . 2.9 tp -52.27 -34.52 46.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.93 110.594 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.95 -39.72 69.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 2.92 110.607 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.459 ' C ' ' N ' ' A' ' 17' ' ' THR . 1.7 ttm180 -68.27 -49.69 58.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 3.32 110.593 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.935 HG23 ' O ' ' A' ' 12' ' ' THR . 2.6 t -47.14 -16.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 1.39 110.574 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.459 ' N ' ' C ' ' A' ' 15' ' ' ARG . 96.1 m -91.34 -36.8 13.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 1.57 110.604 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.76 -27.76 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 2.79 110.575 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 3.2 mt -56.35 -64.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 1.55 110.61 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.632 ' O ' ' N ' ' A' ' 23' ' ' LEU . 89.2 m-85 -50.61 -64.26 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 1.71 110.622 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 23' ' ' LEU . 12.8 tttt -37.45 -46.04 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 2.98 110.607 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -56.5 -3.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 1.19 110.619 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.676 ' O ' ' O ' ' A' ' 24' ' ' GLY . 30.8 mt -110.42 -8.19 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 1.82 110.558 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.676 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -33.86 -107.66 0.0 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.922 -0.871 . . . . 2.15 110.922 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.644 ' C ' ' O ' ' A' ' 24' ' ' GLY . 23.8 m-20 -16.3 123.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 2.34 110.606 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' ILE . 3.7 p90 -74.36 -34.88 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 4.38 110.591 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.655 HD21 ' CD2' ' A' ' 49' ' ' LEU . 56.2 t-20 -41.69 -39.3 1.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 2.37 110.61 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.648 ' CZ ' HD21 ' A' ' 63' ' ' LEU . 9.8 ttm180 -74.84 -35.91 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 4.27 110.649 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' TYR . 5.1 mm -50.33 -43.5 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 1.79 110.579 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 1.059 HH21 HD11 ' A' ' 49' ' ' LEU . 8.3 ttp180 -63.66 -48.01 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 3.41 110.624 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.3 mt -53.96 -35.86 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 1.15 110.587 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -36.77 83.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 2.52 110.601 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -64.73 -35.68 81.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 2.22 110.617 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.007 HD12 ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -64.56 -55.69 18.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 1.94 110.583 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.55 -35.0 67.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 1.84 110.597 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.4 t -54.69 -50.65 67.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 1.61 110.617 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.09 -41.25 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 1.46 110.625 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.25 134.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 1.69 110.62 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.496 ' H ' ' HG2' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -45.65 169.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 2.53 110.554 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -159.79 151.26 19.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.93 110.604 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -86.58 172.61 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 1.38 110.58 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.3 -65.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.58 110.614 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.24 -31.19 62.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.848 -0.901 . . . . 0.96 110.848 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -61.46 -43.32 99.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.348 . . . . 2.9 110.59 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' SER . 14.3 mt -62.81 -32.14 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 1.88 110.604 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 1.167 ' O ' ' CA ' ' A' ' 50' ' ' ASN . 17.5 t -39.14 -36.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 1.86 110.641 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 48' ' ' GLN . 1.0 OUTLIER -58.69 -61.58 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 3.66 110.628 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.581 ' NE2' ' CD2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -36.19 -72.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 2.62 110.645 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.059 HD11 HH21 ' A' ' 30' ' ' ARG . 0.8 OUTLIER -105.0 -17.81 14.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 2.61 110.61 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 1.167 ' CA ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER 47.46 169.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 5.2 110.554 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 1.056 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 1.2 mp 136.87 -117.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 3.15 110.606 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.509 ' H ' ' HB3' ' A' ' 51' ' ' LEU . 39.5 t -121.38 125.72 47.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 2.04 110.561 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -54.2 -35.62 62.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 2.72 110.618 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.66 -27.33 62.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 1.93 110.571 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -74.14 -41.7 61.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 2.45 110.65 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.54 -46.22 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 1.85 110.652 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.8 p -53.8 -46.65 71.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 1.52 110.559 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.32 -48.58 73.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 2.56 110.568 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.709 ' O ' ' N ' ' A' ' 62' ' ' LEU . 1.1 tt0 -60.98 -69.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 2.5 110.641 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.816 ' CD2' ' CE2' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -35.85 -29.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 1.66 110.596 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 59' ' ' GLN . 22.3 tttp -72.0 -30.83 65.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 2.87 110.615 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.709 ' N ' ' O ' ' A' ' 59' ' ' GLN . 1.1 tp -73.02 -47.06 48.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 2.22 110.584 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.653 ' HB2' HG21 ' A' ' 69' ' ' VAL . 7.9 mt -63.56 -24.54 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 1.42 110.587 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -70.75 -23.93 62.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 2.15 110.631 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.8 t -78.63 -25.86 45.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 1.89 110.639 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.643 ' O ' ' HB2' ' A' ' 67' ' ' HIS . 3.7 t -83.12 -17.95 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 1.61 110.567 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.643 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER 80.83 25.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 3.42 110.619 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.77 -26.46 17.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 2.06 110.608 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -121.51 165.31 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 1.67 110.608 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.2 130.43 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 2.79 110.611 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.31 148.17 30.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 1.16 110.569 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -133.06 159.0 41.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 3.7 110.619 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -98.42 135.87 39.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 4.08 110.62 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -149.09 86.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 2.32 110.591 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.93 -108.03 2.94 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.848 -0.901 . . . . 1.97 110.848 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -125.76 11.05 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 4.02 110.613 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -130.04 131.49 45.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 1.8 110.614 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.534 ' H ' ' HG3' ' A' ' 78' ' ' MET . 0.0 OUTLIER -87.6 117.02 26.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 3.1 110.598 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -100.52 142.1 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 1.77 110.623 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.816 ' CE2' ' CD2' ' A' ' 60' ' ' LEU . 24.9 m-85 -106.69 -173.98 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 3.66 110.611 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.728 ' HB3' ' O ' ' A' ' 80' ' ' TYR . 0.3 OUTLIER 160.4 160.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 1.33 110.599 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 82' ' ' LEU . 1.7 mt -54.33 170.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 2.05 110.619 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.658 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 41.1 t0 -89.03 -48.52 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 3.02 110.61 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.658 ' OD1' ' O ' ' A' ' 83' ' ' ASP . 75.0 m-20 -148.94 -151.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 2.43 110.568 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.447 ' H ' ' HB3' ' A' ' 84' ' ' ASP . 1.5 pt -103.39 8.74 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 2.28 110.595 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -83.19 -39.54 20.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.22 110.607 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -41.5 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 1.76 110.578 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.34 -58.53 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.93 110.573 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.528 ' OG1' ' OE1' ' B' ' 93' ' ' GLN . 3.6 p -54.63 -56.02 23.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 1.69 110.628 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' THR . 0.8 OUTLIER -38.43 -59.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 2.38 110.651 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.644 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 7.0 tp -48.75 -49.07 40.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.77 110.626 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.662 ' O ' ' N ' ' A' ' 94' ' ' ALA . 15.2 mttm -59.78 -76.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 3.07 110.63 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.497 ' C ' ' O ' ' A' ' 92' ' ' LYS . 0.6 OUTLIER -31.59 -29.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 2.37 110.6 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.662 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -63.0 -57.78 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.73 110.572 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 92' ' ' LYS . 2.4 mm -64.3 -23.72 34.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 1.7 110.569 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -70.41 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 2.77 110.624 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -49.47 -42.37 42.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.8 110.619 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.85 -46.91 86.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 1.08 110.586 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 2.57 110.628 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 78.1 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.759 0.314 . . . . 2.46 110.574 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -55.22 37.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 2.64 110.615 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.562 ' O ' HG23 ' B' ' 16' ' ' VAL . 80.6 p -58.3 -51.18 70.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 2.12 110.603 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' B' ' 13' ' ' LEU . 1.0 OUTLIER -45.72 -48.06 15.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 1.86 110.608 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.588 ' O ' ' OG1' ' B' ' 17' ' ' THR . 9.0 tt0 -57.6 -39.34 76.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 2.63 110.593 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.938 ' O ' ' N ' ' B' ' 17' ' ' THR . 4.0 mtm-85 -64.78 -73.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 3.95 110.594 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.576 ' C ' ' O ' ' B' ' 15' ' ' ARG . 0.1 OUTLIER -24.84 -25.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 1.59 110.566 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.938 ' N ' ' O ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -82.01 -40.36 22.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 1.61 110.595 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.77 ' N ' ' O ' ' B' ' 15' ' ' ARG . 1.5 tt0 -63.93 -26.76 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 2.73 110.572 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.803 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 1.5 mt -59.47 -64.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 1.73 110.618 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.649 ' O ' ' N ' ' B' ' 22' ' ' ALA . 74.0 m-85 -49.75 -74.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 1.57 110.586 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -35.53 -23.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 2.9 110.633 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.803 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -71.12 -3.86 22.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 1.03 110.574 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.935 ' O ' ' O ' ' B' ' 24' ' ' GLY . 6.2 mt -114.26 -10.29 12.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 1.74 110.601 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.935 ' O ' ' O ' ' B' ' 23' ' ' LEU . . . -18.88 -122.23 0.0 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.883 -0.887 . . . . 1.89 110.883 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.782 ' O ' ' O ' ' B' ' 24' ' ' GLY . 70.4 m-20 -12.76 139.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 2.16 110.629 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.951 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 0.0 OUTLIER -81.86 -26.33 34.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 4.27 110.623 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.664 ' H ' ' HD1' ' B' ' 26' ' ' TYR . 11.9 t30 -46.49 -40.55 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 2.53 110.588 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -73.78 -45.07 53.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 3.15 110.596 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 6.2 mt -46.51 -33.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 1.46 110.638 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.67 -45.29 53.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 3.09 110.607 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 84.1 mt -55.53 -36.86 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 1.08 110.585 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . 0.718 ' HE3' HD23 ' B' ' 68' ' ' LEU . 0.0 OUTLIER -67.94 -44.07 77.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 2.5 110.635 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.622 ' O ' HG23 ' B' ' 37' ' ' VAL . 11.6 tt0 -59.15 -28.27 66.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 2.11 110.625 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 1.324 ' O ' HD12 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -74.6 -39.33 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 2.04 110.588 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 63.6 mt -71.26 -35.78 71.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 1.47 110.637 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.499 ' HA ' HD11 ' B' ' 82' ' ' LEU . 0.2 OUTLIER -57.59 -47.42 82.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 1.84 110.592 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.622 HG23 ' O ' ' B' ' 33' ' ' GLU . 7.0 t -64.54 -42.35 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.66 110.585 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.9 t -171.18 138.99 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 1.45 110.606 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.495 ' H ' ' HG2' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -55.5 165.53 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 2.48 110.631 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.83 152.13 22.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.8 110.598 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.03 -176.29 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 1.58 110.63 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 t -68.43 -55.25 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 1.5 110.602 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.474 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -63.49 -38.93 97.08 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -54.14 -42.11 69.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 3.12 110.599 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.585 ' O ' ' N ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -59.27 -36.1 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 2.15 110.586 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.768 ' O ' ' HA ' ' B' ' 50' ' ' ASN . 73.0 p -40.69 -34.79 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 1.72 110.612 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -30.03 70.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 3.5 110.638 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 1.012 ' HA ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -64.87 -77.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 3.01 110.601 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' B' ' 50' ' ' ASN . 13.9 mt -92.84 -21.7 19.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 2.53 110.612 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 1.042 ' O ' ' HG ' ' B' ' 51' ' ' LEU . 27.7 t-20 54.8 130.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 4.54 110.633 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 1.042 ' HG ' ' O ' ' B' ' 50' ' ' ASN . 1.5 mt 166.24 -130.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 2.92 110.604 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.58 ' O ' ' HB2' ' B' ' 55' ' ' ASN . 0.4 OUTLIER -106.46 120.41 41.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 2.01 110.58 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.404 ' H ' ' HG3' ' B' ' 53' ' ' GLN . 10.3 mt-30 -47.06 -42.1 18.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 2.74 110.622 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' B' ' 58' ' ' HIS . 7.2 p -53.4 -29.27 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 1.51 110.597 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.58 ' HB2' ' O ' ' B' ' 52' ' ' SER . 0.9 OUTLIER -68.96 -46.75 67.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 2.4 110.589 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 37.8 t -67.73 -50.77 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 1.31 110.562 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -27.6 39.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 1.56 110.606 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' B' ' 54' ' ' SER . 3.4 t-80 -73.32 -54.07 9.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 3.1 110.624 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' B' ' 62' ' ' LEU . 1.0 OUTLIER -63.38 -54.27 39.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 2.19 110.603 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.721 ' CD2' ' CE2' ' B' ' 80' ' ' TYR . 11.9 tp -43.81 -21.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.77 110.612 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' B' ' 59' ' ' GLN . 13.7 ttmt -78.6 -35.66 45.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 2.65 110.569 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' B' ' 59' ' ' GLN . 17.1 mt -65.05 -46.82 79.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 2.11 110.633 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.414 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . 1.5 mt -62.87 -19.21 63.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 1.71 110.591 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -79.05 -21.32 47.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 2.39 110.577 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.0 t -73.94 -26.63 60.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 1.59 110.592 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.906 ' O ' ' HB2' ' B' ' 67' ' ' HIS . 2.0 t -85.96 -24.76 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 1.72 110.585 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.906 ' HB2' ' O ' ' B' ' 66' ' ' VAL . 44.7 m80 92.61 6.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 3.5 110.569 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.718 HD23 ' HE3' ' B' ' 32' ' ' MET . 0.1 OUTLIER -66.5 -34.93 79.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 2.16 110.601 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -116.95 168.33 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 1.65 110.597 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -146.84 148.32 31.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 2.93 110.573 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.3 153.75 30.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.03 110.566 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -136.62 169.14 18.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 3.17 110.626 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 73' ' ' ARG . 24.7 mtt180 -112.44 135.18 53.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 4.1 110.627 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.14 82.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 2.22 110.645 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' B' ' 76' ' ' GLN . . . 83.28 -86.75 1.49 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.87 -0.892 . . . . 2.09 110.87 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' B' ' 75' ' ' GLY . 6.1 mt-30 -148.34 10.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 3.12 110.648 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.17 126.42 50.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 1.9 110.624 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -82.66 107.81 15.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 2.81 110.622 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.63 143.01 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 1.9 110.594 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.721 ' CE2' ' CD2' ' B' ' 60' ' ' LEU . 25.5 m-85 -113.71 153.97 28.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 2.94 110.57 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.88 172.75 15.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 1.48 110.576 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' B' ' 36' ' ' SER . 15.8 mt -65.44 172.6 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 1.79 110.603 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.21 -42.56 13.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 3.48 110.617 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.47 ' HB3' ' H ' ' B' ' 85' ' ' ILE . 9.3 m-20 -162.93 -146.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 3.06 110.592 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.47 ' H ' ' HB3' ' B' ' 84' ' ' ASP . 0.8 OUTLIER -107.35 15.74 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 2.19 110.599 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -91.43 -43.67 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 2.02 110.561 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.449 ' H ' HG22 ' B' ' 87' ' ' VAL . 0.0 OUTLIER -64.21 -44.64 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.71 110.586 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.47 -54.45 26.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.89 110.588 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -54.94 41.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 1.56 110.612 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.3 ttt -42.42 -59.15 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 1.96 110.616 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 5.2 tp -50.5 -44.98 56.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 1.72 110.594 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -61.78 -73.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 2.97 110.632 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.528 ' OE1' ' OG1' ' A' ' 89' ' ' THR . 0.4 OUTLIER -33.67 -46.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 2.52 110.609 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -46.86 -64.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.76 110.62 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.44 ' O ' ' CG2' ' B' ' 95' ' ' ILE . 0.9 OUTLIER -62.12 -12.91 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 1.65 110.616 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.97 -46.93 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 2.44 110.608 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -72.37 -44.16 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 1.01 110.627 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.64 -43.87 72.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 1.44 110.595 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 37.9 t30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 3.33 110.58 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.2 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.887 0.375 . . . . 1.0 110.581 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.0 -54.22 7.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.464 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -60.69 -23.25 64.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.516 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.4 -65.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.505 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.428 ' O ' ' OE1' ' A' ' 18' ' ' GLU . 40.1 mm-40 -51.08 -26.77 6.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.389 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -63.49 -33.12 74.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 1.0 110.36 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.0 t -51.31 -27.3 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.401 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.517 ' O ' ' N ' ' A' ' 19' ' ' ILE . 43.7 p -73.8 -63.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.363 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.567 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 2.2 mp0 -37.54 -25.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.616 -177.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' THR . 58.2 mt -57.9 -49.18 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.395 -0.522 . . . . 1.0 110.358 179.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -68.9 -56.69 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.991 0.424 . . . . 1.0 110.746 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -50.41 -36.48 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.521 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.88 17.0 20.58 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.616 -0.265 . . . . 1.0 111.622 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 23' ' ' LEU . 1.1 tt -75.7 -48.44 21.94 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.479 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.98 151.88 5.83 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -82.15 178.31 8.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 1.0 110.629 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -41.41 -67.97 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.974 -0.557 . . . . 1.0 111.534 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -49.6 -26.68 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.398 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.413 ' NH2' ' CD ' ' A' ' 59' ' ' GLN . 20.5 mmt180 -75.66 -21.24 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.809 -0.356 . . . . 1.0 110.771 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.2 mm -71.55 -36.19 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.376 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.6 ttt85 -64.96 -29.6 70.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.344 . . . . 1.0 110.394 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.4 mt -78.59 -41.73 25.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.493 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.4 ttt -52.25 -32.47 37.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.355 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -71.26 -38.56 71.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.29 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -63.23 -62.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.282 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.0 mt -46.5 -32.5 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.727 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 p -60.37 -33.37 72.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 1.0 110.352 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.8 t -77.71 -38.86 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.776 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -173.49 153.57 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.0 111.037 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.27 164.7 26.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.596 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.4 158.95 36.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.912 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 44' ' ' HIS . 93.3 p -88.41 166.71 14.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.529 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 t -56.3 -55.05 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.977 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.73 -35.03 91.49 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.381 -0.688 . . . . 1.0 111.381 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.51 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 12.2 m170 -73.12 -39.25 65.91 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.69 0.256 . . . . 1.0 111.69 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.85 -13.74 12.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.757 0.313 . . . . 1.0 110.757 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.3 m -54.48 -37.73 65.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.9 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.31 -12.59 61.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.888 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -60.62 -57.47 12.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.334 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tt -173.53 56.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 52' ' ' SER . 7.6 m120 -156.25 -13.85 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.433 -0.348 . . . . 1.0 110.938 -178.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.611 HD22 ' H ' ' A' ' 51' ' ' LEU . 3.0 mm? 41.93 -89.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.849 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 50' ' ' ASN . 90.1 p -55.04 132.77 47.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.404 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -63.28 -47.29 82.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.113 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 p -45.11 -27.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.386 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -68.28 -43.45 77.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.425 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.4 t -74.59 -38.94 46.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.981 -0.288 . . . . 1.0 111.16 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.9 t -59.15 -60.82 3.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.759 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -53.82 -41.31 67.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.901 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.413 ' CD ' ' NH2' ' A' ' 28' ' ' ARG . 38.1 tp60 -67.13 -54.55 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.289 -178.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.5 tp -52.11 -27.09 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.878 -177.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -68.41 -39.67 81.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.613 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.27 -35.65 79.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.63 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.2 mt -74.1 -32.74 63.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -64.98 -21.44 66.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.849 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.456 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 30.8 p -60.42 -60.93 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.767 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 66' ' ' VAL . 3.3 p -69.27 -1.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.647 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 65' ' ' SER . 6.6 m170 66.55 23.26 10.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.782 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 tp -73.38 -13.51 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.856 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.7 t -135.33 155.42 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.927 -0.578 . . . . 1.0 110.179 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' A' ' 70' ' ' LYS . 9.2 mtmp? -124.88 172.82 9.06 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.184 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.69 153.16 26.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.506 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.7 pttt -149.12 161.53 41.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.317 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -93.44 135.71 34.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.3 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -153.08 112.98 3.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.489 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.65 58.6 8.95 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.21 -0.756 . . . . 1.0 111.21 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 54.45 12.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.554 0.216 . . . . 1.0 111.285 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.5 t -123.4 133.58 54.07 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.865 0.364 . . . . 1.0 110.418 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.562 ' N ' ' SD ' ' A' ' 78' ' ' MET . 1.9 mpt? -93.25 99.15 11.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.82 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.7 mt -101.57 148.68 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.45 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.487 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 8.6 p90 -146.35 -177.42 5.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.008 0.433 . . . . 1.0 110.899 -178.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.7 p -172.25 -159.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.369 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 83' ' ' ASP . 17.7 mt -86.63 168.13 13.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.81 0.338 . . . . 1.0 110.303 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 26.0 t0 -60.98 -123.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.232 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 2.8 m-20 -86.82 -145.96 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.795 0.331 . . . . 1.0 110.632 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 pt -94.68 6.54 7.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.436 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.437 ' C ' ' N ' ' A' ' 88' ' ' ALA . 20.9 m170 -71.86 -83.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.971 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.4 m -45.98 -18.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.615 -0.266 . . . . 1.0 110.849 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.437 ' N ' ' C ' ' A' ' 86' ' ' HIS . . . -69.32 -62.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.932 0.396 . . . . 1.0 110.715 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.8 m -58.11 -48.77 79.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.515 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.571 ' N ' ' SD ' ' A' ' 90' ' ' MET . 0.0 OUTLIER -53.07 -26.93 17.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.333 179.514 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.481 ' C ' HD23 ' A' ' 91' ' ' LEU . 3.4 tt -59.24 -59.18 5.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.108 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -63.69 -55.51 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.928 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -49.59 -29.73 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.324 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.85 -63.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 1.0 110.73 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.4 tt -59.29 -12.53 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.576 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -80.0 -50.3 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.453 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -62.56 -13.1 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.465 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.43 ' O ' ' OD1' ' A' ' 99' ' ' ASN . . . -75.13 -22.63 58.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.674 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 98' ' ' ALA . 35.8 m-20 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.098 -0.501 . . . . 1.0 109.922 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.1 m . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 120.934 0.397 . . . . 1.0 110.484 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -37.8 -34.59 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.677 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 16.8 p -53.81 -67.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.62 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.584 ' N ' HD12 ' B' ' 13' ' ' LEU . 8.8 mp -67.07 -53.6 29.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.427 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -41.31 -26.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.425 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' B' ' 13' ' ' LEU . 47.9 ttt85 -80.73 -39.96 26.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 1.0 110.454 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' B' ' 13' ' ' LEU . 43.9 t -59.07 -37.51 68.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.572 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.41 ' H ' HG23 ' B' ' 17' ' ' THR . 3.8 p -76.17 -25.14 54.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.434 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -68.81 -17.52 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.314 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 82.5 mt -68.45 -58.03 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.94 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -59.48 -66.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.158 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -45.19 -34.25 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.523 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.428 ' O ' ' NH2' ' B' ' 28' ' ' ARG . . . -63.27 -22.23 66.74 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.088 -0.245 . . . . 1.0 111.188 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 37.3 mt -72.98 2.95 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.285 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.82 -155.99 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 51.39 93.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 1.0 110.489 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -50.24 -63.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.992 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.61 -33.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.552 -177.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.428 ' NH2' ' O ' ' B' ' 22' ' ' ALA . 40.4 ttp180 -71.21 -40.99 70.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.337 . . . . 1.0 110.937 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.58 -27.55 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.558 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 mmm-85 -64.36 -27.85 69.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.53 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.661 HD12 ' N ' ' B' ' 31' ' ' ILE . 1.7 mp -73.99 -27.27 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 177.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 12.8 tpt -69.68 -48.6 59.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.633 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . 0.415 ' O ' ' OG ' ' B' ' 36' ' ' SER . 9.1 tm-20 -54.15 -31.58 52.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.519 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' B' ' 36' ' ' SER . 0.9 OUTLIER -67.23 -61.75 1.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.347 -179.586 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 39.1 mt -56.89 -5.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.004 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.438 ' H ' ' C ' ' B' ' 34' ' ' LEU . 9.9 p -81.55 -50.85 8.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.748 0.309 . . . . 1.0 110.632 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 6.5 p -76.3 -29.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.669 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.3 p -178.7 145.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.42 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -57.0 169.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.512 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.37 151.84 25.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.73 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.473 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 26.1 p -90.23 164.16 14.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.42 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -53.45 -57.66 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.001 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.23 -45.58 93.93 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.302 -0.719 . . . . 1.0 111.302 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.473 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 2.6 m-70 -50.98 -40.2 57.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.713 0.292 . . . . 1.0 111.071 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.482 ' C ' ' H ' ' B' ' 47' ' ' HIS . 85.8 mt -69.62 -35.59 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.583 -177.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.424 ' O ' ' O ' ' B' ' 50' ' ' ASN . 44.1 t -53.59 -6.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.98 -0.288 . . . . 1.0 111.601 -176.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.482 ' H ' ' C ' ' B' ' 45' ' ' ILE . 46.2 t60 -91.87 -10.78 38.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 1.0 110.936 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.401 ' OE1' HD12 ' B' ' 34' ' ' LEU . 22.4 mt-30 -85.03 -58.36 2.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.555 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 97.0 mt -145.76 -39.34 0.24 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.684 0.278 . . . . 1.0 110.483 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' B' ' 46' ' ' SER . 65.0 m-80 -74.82 130.28 39.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.004 -177.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.586 ' N ' HD12 ' B' ' 51' ' ' LEU . 7.1 mp -85.3 -58.97 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.515 -0.55 . . . . 1.0 109.515 178.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.425 ' OG ' ' ND2' ' B' ' 55' ' ' ASN . 29.8 p -80.37 149.79 30.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.163 178.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.428 ' N ' ' OE1' ' B' ' 53' ' ' GLN . 2.4 mm100 -77.47 -17.0 58.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.844 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 95.9 p -80.08 -19.3 47.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.869 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.425 ' ND2' ' OG ' ' B' ' 52' ' ' SER . 3.0 m120 -69.38 -47.89 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.977 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.9 p -78.01 -34.43 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.73 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.9 t -57.49 -67.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.371 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -45.58 -43.23 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.634 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -63.56 -38.77 92.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.695 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.46 -31.8 73.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.435 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -65.13 -34.47 78.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.557 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' B' ' 62' ' ' LEU . 31.4 mt -58.61 -41.9 86.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.572 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.65 -30.77 67.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.23 -39.03 85.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.594 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -65.35 -34.3 78.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.608 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.442 ' O ' HG12 ' B' ' 66' ' ' VAL . 26.7 t -77.48 -4.84 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.333 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 59.1 t60 60.84 8.1 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.421 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.52 ' O ' HD23 ' B' ' 68' ' ' LEU . 0.8 OUTLIER -63.63 -13.09 39.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.104 -178.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 33.8 m -151.09 176.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.41 . . . . 1.0 110.876 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -136.16 175.09 9.92 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.855 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -141.31 148.31 39.55 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.754 0.311 . . . . 1.0 110.569 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -143.03 149.19 37.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.448 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -90.47 149.98 22.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.042 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -153.0 97.25 2.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 1.0 110.493 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.18 -110.36 3.11 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -111.44 -31.16 7.12 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.852 0.358 . . . . 1.0 110.28 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -83.22 141.53 31.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.762 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 47.1 mtm -90.66 88.86 7.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.223 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -78.44 134.28 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.6 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -115.12 154.33 29.13 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.549 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 59.5 p -156.31 -178.68 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.201 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.513 ' H ' HD23 ' B' ' 82' ' ' LEU . 0.2 OUTLIER -92.25 -175.96 4.2 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 179.489 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -69.81 -94.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.793 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 86' ' ' HIS . 50.7 m-20 -155.32 165.45 36.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.664 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.44 ' O ' HG23 ' B' ' 85' ' ' ILE . 4.1 tp -43.71 88.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.395 0.616 . . . . 1.0 110.953 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' B' ' 84' ' ' ASP . 5.6 t-160 -174.87 -39.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.612 -0.722 . . . . 1.0 109.628 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.495 HG23 ' N ' ' B' ' 88' ' ' ALA . 32.6 m -85.3 -41.04 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.466 -0.788 . . . . 1.0 110.471 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.495 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -66.92 -19.15 65.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.346 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 17.7 m -73.27 -48.31 35.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.372 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 8.6 tpt -63.63 -26.55 68.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.238 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 20.0 tp -62.47 -54.7 36.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.615 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -70.06 -55.6 9.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.103 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -44.11 -25.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 1.0 110.964 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.08 -70.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.906 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.8 tt -54.34 -12.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 1.0 110.42 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -70.82 -46.21 63.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.506 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -65.68 -13.39 59.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.385 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.54 -6.37 48.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.394 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.642 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.843 0.354 . . . . 1.0 110.657 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -75.91 -56.79 4.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.105 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.0 m -54.67 -31.82 58.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.294 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -52.48 -60.11 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.04 179.697 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -54.05 -23.33 13.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.741 -178.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -76.34 -36.3 58.31 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.653 -0.419 . . . . 1.0 110.378 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.5 t -55.77 -25.41 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.213 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.2 m -73.19 -58.79 3.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.306 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -39.07 -32.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.429 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.3 mt -57.55 -63.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.463 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' LEU . 98.0 m-85 -59.64 -57.29 13.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.701 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -44.96 -36.11 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.937 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.0 -25.21 58.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.41 . . . . 1.0 110.375 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -81.53 -30.56 33.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.868 -0.606 . . . . 1.0 109.824 179.265 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.65 87.36 0.53 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.067 -0.813 . . . . 1.0 111.067 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -161.14 121.92 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.725 0.298 . . . . 1.0 110.344 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -55.68 -33.61 64.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.923 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.754 HD21 HE22 ' A' ' 59' ' ' GLN . 53.2 t30 -74.58 -52.09 12.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.388 -177.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -69.51 -48.96 58.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.754 0.312 . . . . 1.0 111.316 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.422 HG23 ' N ' ' A' ' 30' ' ' ARG . 10.6 tp -46.58 -39.4 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.378 -0.373 . . . . 1.0 110.998 -176.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' N ' HG23 ' A' ' 29' ' ' ILE . 50.1 ttp180 -70.13 -34.34 72.94 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.204 -178.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.0 mt -68.05 -44.85 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.65 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.4 mmt -52.63 -33.94 48.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.681 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -72.49 -29.5 63.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.979 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.8 tp -75.61 -57.74 3.7 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.856 -0.337 . . . . 1.0 110.526 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 35' ' ' LEU . 9.5 mp -61.85 -24.17 66.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.293 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 t -63.87 -68.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.43 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -49.63 -39.13 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.416 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.5 m -165.73 134.62 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.662 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.604 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 20.0 mp0 -52.33 167.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.471 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.0 149.05 22.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.8 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.2 p -88.64 167.72 13.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.313 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.6 t -56.98 -56.83 12.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.901 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.28 -30.38 67.54 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.445 -0.662 . . . . 1.0 111.445 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -66.94 -22.24 65.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.724 0.297 . . . . 1.0 110.993 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.3 mt -77.65 -31.35 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.865 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 50' ' ' ASN . 13.5 t -48.17 -41.28 26.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 1.0 110.898 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.491 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 19.0 t-160 -61.14 -15.9 38.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.947 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -92.88 -57.62 2.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.094 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 49' ' ' LEU . 9.5 mp -93.4 -33.23 13.93 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.554 -0.294 . . . . 1.0 110.52 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 46' ' ' SER . 69.9 m-80 54.86 87.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.838 0.351 . . . . 1.0 110.274 -178.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -160.22 -167.49 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.342 -178.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -69.42 124.56 24.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.729 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -54.13 -32.15 54.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.76 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.417 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 11.0 t -63.89 -17.65 63.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.756 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.408 HD22 HD22 ' A' ' 51' ' ' LEU . 51.4 t30 -74.59 -42.58 58.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.857 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 t -70.26 -41.95 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.913 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 t -55.61 -37.22 67.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.483 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.484 ' ND1' ' N ' ' A' ' 58' ' ' HIS . 1.8 m-70 -78.84 -34.31 45.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.652 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.754 HE22 HD21 ' A' ' 27' ' ' ASN . 15.0 tt0 -70.38 -60.82 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.782 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.3 tp -50.23 -31.74 14.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.665 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -67.08 -36.08 81.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.826 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.3 tp -67.78 -38.34 83.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.665 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.4 mt -64.94 -26.74 68.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.522 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -68.31 -36.84 79.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.677 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.4 m -47.27 -50.03 22.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.741 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -76.93 -1.14 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.521 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 62.25 20.61 11.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.412 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.07 -8.64 51.07 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.608 -0.437 . . . . 1.0 110.172 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 70' ' ' LYS . 30.1 t -137.02 155.46 32.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.353 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.414 ' N ' HG12 ' A' ' 69' ' ' VAL . 31.4 ttmt -152.16 122.75 7.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.252 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.0 169.23 8.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.608 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -149.01 164.36 34.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.221 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -87.83 132.82 34.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.424 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -153.0 108.38 3.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.293 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.28 -146.57 29.2 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.76 -0.936 . . . . 1.0 110.76 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -96.55 13.34 28.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.741 0.305 . . . . 1.0 110.498 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -138.29 163.26 32.25 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.042 0.448 . . . . 1.0 110.858 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' A' ' 78' ' ' MET . 2.1 mpt? -98.96 133.29 43.44 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.104 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 tt -117.17 137.75 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.276 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -102.05 134.93 44.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.662 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.3 t -147.14 173.9 12.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.051 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.771 HD22 ' N ' ' A' ' 82' ' ' LEU . 1.7 mm? -94.11 173.06 7.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.063 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -64.18 -126.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.055 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -82.87 -138.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.673 0.273 . . . . 1.0 110.504 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.7 pt -107.72 -2.97 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.257 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -61.0 -24.38 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.815 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 88' ' ' ALA . 28.9 m -77.38 -38.89 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.626 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -62.27 -59.61 4.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.619 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.4 p -47.15 -55.34 8.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.467 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.6 ttp -53.71 -54.28 40.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.658 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.11 -43.96 74.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.528 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -64.8 -56.96 10.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.598 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -46.48 -24.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.225 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.96 -64.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.789 -0.365 . . . . 1.0 110.727 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.2 tt -60.23 -16.11 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.687 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -74.81 -34.44 62.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.483 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -83.45 -15.94 47.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.537 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.507 ' O ' ' ND2' ' A' ' 99' ' ' ASN . . . -59.64 -33.8 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.048 -178.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 98' ' ' ALA . 30.9 m120 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 1.0 110.703 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.6 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.697 0.284 . . . . 1.0 110.689 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -71.49 -59.16 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.909 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 41.6 p -64.93 -56.97 10.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.987 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.506 ' N ' HD12 ' B' ' 13' ' ' LEU . 9.1 mp -44.72 -30.06 0.88 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.76 -178.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -68.08 -54.26 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.49 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' B' ' 18' ' ' GLU . 56.3 ttt85 -67.13 -45.82 75.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.045 -178.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.416 HG12 ' O ' ' B' ' 16' ' ' VAL . 93.5 t -46.69 -15.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.975 -178.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.45 ' N ' ' O ' ' B' ' 15' ' ' ARG . 52.9 m -91.19 -29.15 17.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.82 0.343 . . . . 1.0 110.735 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' B' ' 15' ' ' ARG . 21.5 tt0 -77.93 -27.67 49.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.512 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 pt -62.62 -28.21 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.629 -0.429 . . . . 1.0 110.75 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -79.51 -52.48 7.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.602 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -44.75 -23.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.751 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.69 -32.22 65.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.06 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.591 HD12 ' N ' ' B' ' 23' ' ' LEU . 7.2 mp -84.85 -0.77 55.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 1.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.36 178.38 10.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.093 -0.803 . . . . 1.0 111.093 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 61.68 135.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 1.0 110.877 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -70.21 -12.27 61.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.254 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -69.67 -53.97 16.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 1.0 110.925 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' B' ' 28' ' ' ARG . 7.1 mpt_? -70.14 -28.82 65.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.25 -177.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 98.5 mt -69.78 -34.44 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.281 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -75.8 -36.37 59.75 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.995 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.0 mt -67.08 -25.4 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.368 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 2.4 tpt -76.12 -32.57 59.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.647 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -60.41 -58.11 9.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.323 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.35 -41.05 83.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.143 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.57 -39.88 81.53 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.391 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 52.0 m -59.45 -30.15 68.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.421 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 90.4 t -80.44 -44.8 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.609 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 5.9 m -167.3 131.07 1.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.636 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -47.74 166.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.336 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.12 148.04 21.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 1.0 110.693 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 60.2 m -79.7 168.71 18.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.406 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.582 HG13 ' N ' ' B' ' 43' ' ' GLY . 7.7 p -56.49 -53.21 43.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.884 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.582 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -66.02 -17.28 65.36 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.749 -0.54 . . . . 1.0 111.749 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -76.34 -24.37 54.24 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.66 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 15.1 mm -70.05 -27.8 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 1.0 110.469 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.48 ' O ' ' N ' ' B' ' 50' ' ' ASN . 8.8 t -56.82 -46.19 81.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.93 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' B' ' 47' ' ' HIS . 1.8 m80 -73.71 -23.66 59.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.429 -0.35 . . . . 1.0 111.127 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -69.13 -8.54 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.185 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.416 ' C ' HD12 ' B' ' 49' ' ' LEU . 0.3 OUTLIER -165.92 17.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.829 -179.636 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' B' ' 50' ' ' ASN . 2.1 p-10 40.71 82.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.39 . . . . 1.0 111.883 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 77.9 mt -148.87 -177.88 6.04 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.438 ' C ' ' N ' ' B' ' 54' ' ' SER . 12.6 t -78.72 121.24 24.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.72 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -48.89 -15.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.738 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.438 ' N ' ' C ' ' B' ' 52' ' ' SER . 98.8 p -81.83 -30.5 32.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.684 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -68.06 -42.71 80.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.965 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.418 HG23 ' N ' ' B' ' 57' ' ' SER . 16.3 m -73.72 -37.15 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.822 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.418 ' N ' HG23 ' B' ' 56' ' ' VAL . 28.2 t -57.36 -37.22 72.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.399 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -74.49 -54.29 7.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.342 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -52.09 -40.73 61.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.7 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.2 tp -59.5 -33.47 71.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.676 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -61.76 -35.03 76.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.763 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.56 HD12 ' N ' ' B' ' 62' ' ' LEU . 10.1 mp -76.11 -38.67 56.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.215 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 11.4 tp -67.13 -38.31 85.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.421 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.464 ' NZ ' ' CB ' ' B' ' 64' ' ' LYS . 2.5 ttmp? -66.91 -35.11 79.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.815 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' B' ' 67' ' ' HIS . 12.6 t -46.94 -61.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.706 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.401 ' O ' HG12 ' B' ' 66' ' ' VAL . 20.5 t -60.45 -4.14 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.314 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' B' ' 65' ' ' SER . 7.2 m80 69.12 19.52 7.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.164 178.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 mt -63.58 -10.87 20.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.081 0.467 . . . . 1.0 109.843 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 30.9 m -149.09 174.67 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.714 -0.676 . . . . 1.0 109.743 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -129.04 166.86 18.42 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.14 0.495 . . . . 1.0 110.675 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -138.86 131.35 28.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.485 -0.78 . . . . 1.0 109.337 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -136.79 153.75 50.73 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.894 0.378 . . . . 1.0 110.418 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.524 ' N ' ' CD ' ' B' ' 73' ' ' ARG . 10.1 mpt_? -90.77 146.19 24.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 1.0 109.982 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -147.07 81.57 1.55 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.84 0.352 . . . . 1.0 110.255 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.83 -83.87 1.51 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -138.29 -29.5 0.82 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.621 0.248 . . . . 1.0 110.573 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 71.2 m -84.37 135.27 34.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.319 . . . . 1.0 110.698 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.439 ' O ' ' CE2' ' B' ' 80' ' ' TYR . 68.7 mtm -87.28 87.97 7.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.408 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -83.6 144.32 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.894 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.439 ' CE2' ' O ' ' B' ' 78' ' ' MET . 10.0 m-85 -120.48 151.91 38.71 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.192 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 37.2 p -148.57 178.02 8.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.879 0.371 . . . . 1.0 110.587 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.15 161.91 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.719 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.49 -67.92 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.669 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -150.98 -171.92 4.06 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.719 ' H ' HD13 ' B' ' 85' ' ' ILE . 0.0 OUTLIER -85.36 94.4 3.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.967 -0.383 . . . . 1.0 109.967 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -173.32 -14.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.66 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.5 m -81.27 -34.49 13.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.022 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.35 -30.46 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.96 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' B' ' 93' ' ' GLN . 52.5 m -82.72 -30.18 29.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.087 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 6.2 tpt -68.37 -43.86 76.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.173 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 27.1 mt -72.54 -54.28 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.41 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.498 ' N ' ' CD ' ' B' ' 92' ' ' LYS . 10.4 mptt -64.71 -13.51 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.667 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' B' ' 89' ' ' THR . 44.6 mm-40 -93.2 -25.37 17.85 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.727 0.298 . . . . 1.0 110.607 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.76 -55.02 14.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.392 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.48 -26.72 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.578 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . 0.426 ' O ' ' ND1' ' B' ' 96' ' ' HIS . 0.7 OUTLIER -61.28 -37.88 84.74 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.686 179.667 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' B' ' 99' ' ' ASN . 11.3 t60 -64.42 -63.8 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.591 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -42.81 -23.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.215 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' B' ' 97' ' ' HIS . 73.9 m-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 1.0 110.916 -179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.4 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.851 0.358 . . . . 1.0 110.717 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -64.32 -56.25 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.688 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.9 p -62.6 -53.73 50.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.524 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 tp -45.39 -28.45 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.595 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -66.13 -57.18 8.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.272 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' CB ' ' NH1' ' A' ' 15' ' ' ARG . 29.0 mtm105 -59.34 -38.68 80.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.988 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.3 t -46.92 -43.9 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.806 0.336 . . . . 1.0 110.651 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.6 m -64.4 -35.56 81.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.732 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -60.55 -21.54 62.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.494 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.5 mt -73.7 -30.48 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.056 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -82.95 -68.15 0.73 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.699 0.285 . . . . 1.0 111.16 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -45.58 -36.26 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.217 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.98 -23.09 43.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.413 -0.358 . . . . 1.0 111.115 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 mt -89.59 8.01 33.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.492 -0.322 . . . . 1.0 111.246 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.77 -57.2 21.03 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.169 -0.773 . . . . 1.0 111.169 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -46.67 103.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 1.0 110.741 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -51.12 -18.53 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.442 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -82.45 -35.02 27.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.94 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -74.44 -34.89 63.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.225 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.4 tp -72.61 -32.17 40.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.819 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -71.89 -32.49 67.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.741 0.305 . . . . 1.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.5 mt -69.62 -24.77 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.091 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.7 ttm -74.73 -38.21 62.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.171 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -54.6 -31.06 56.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.524 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -68.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.644 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 35' ' ' LEU . 9.8 mp -54.76 -12.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.848 -0.341 . . . . 1.0 110.242 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.7 m -75.86 -49.72 17.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.593 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 p -79.29 -24.79 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.574 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 p -170.74 121.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 1.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -46.34 168.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.494 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.48 151.13 24.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.855 0.359 . . . . 1.0 110.887 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.0 m -84.86 -175.23 5.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.681 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.52 -60.81 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.847 -0.615 . . . . 1.0 111.254 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.6 -19.26 76.3 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 120.851 -0.69 . . . . 1.0 111.973 -175.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -74.88 -33.2 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 122.554 -0.38 . . . . 1.0 111.936 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.7 pt -77.01 -16.78 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.527 -0.469 . . . . 1.0 110.968 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.1 m -55.54 -16.59 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.694 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -81.12 -17.67 49.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.381 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -81.79 -58.18 3.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.981 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 50' ' ' ASN . 7.1 tp -172.72 -19.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.874 -0.33 . . . . 1.0 111.101 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 49' ' ' LEU . 25.5 m-80 -60.84 -127.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.739 -0.385 . . . . 1.0 110.739 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.47 HD23 ' C ' ' A' ' 51' ' ' LEU . 3.0 tt -165.4 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.611 -0.435 . . . . 1.0 110.821 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 t -154.61 -148.08 0.23 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.822 0.344 . . . . 1.0 110.908 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -78.36 -53.52 7.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.352 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.9 t -45.35 -50.6 12.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.275 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -72.82 -49.53 29.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.576 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.0 t -63.52 -33.1 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.005 -177.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.2 p -59.72 -44.71 93.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.087 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -25.21 64.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.119 -178.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -80.01 -69.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 1.0 111.251 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.7 mt -45.79 -24.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.931 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -72.61 -43.76 62.89 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.776 -0.369 . . . . 1.0 110.312 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 tp -64.22 -50.39 68.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.911 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.98 -24.92 66.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 1.0 111.14 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -62.83 -40.35 97.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.762 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.7 m -71.1 -22.47 62.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.891 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.46 ' O ' ' CB ' ' A' ' 67' ' ' HIS . 24.1 t -75.01 -0.96 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.575 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.46 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 12.7 t-80 86.44 2.0 0.54 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.747 179.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.7 mt -111.23 157.47 20.07 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.262 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 t 66.84 133.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.82 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -144.23 149.16 35.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.046 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.71 122.97 45.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.861 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -96.04 129.65 43.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.19 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -85.45 105.2 15.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.753 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -128.23 83.43 2.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.35 -0.386 . . . . 1.0 109.999 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.3 -167.9 35.23 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.503 -1.039 . . . . 1.0 110.503 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -56.57 -15.48 4.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 1.0 110.353 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.4 t -92.24 116.36 28.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.949 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -100.31 143.66 30.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.092 -0.504 . . . . 1.0 109.786 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.6 pt -139.87 162.1 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.796 0.331 . . . . 1.0 110.621 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -125.22 151.45 45.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.085 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.8 p -174.45 110.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.446 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.578 ' H ' HD23 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -67.83 -107.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 178.722 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.5 t0 45.0 89.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.139 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -102.21 18.94 19.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.24 -0.436 . . . . 1.0 109.83 177.303 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.521 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 9.0 mm 63.94 45.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.768 -0.651 . . . . 1.0 109.589 -176.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 24.4 m80 -163.46 -24.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.825 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.2 -36.74 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.067 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.79 -42.5 81.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.456 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.419 ' O ' ' OE1' ' A' ' 93' ' ' GLN . 17.9 p -59.47 -58.97 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.289 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.5 ttt -46.17 -43.78 15.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.402 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -63.57 -35.74 81.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.302 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 94' ' ' ALA . 16.4 ttmm -69.73 -63.63 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.419 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.517 ' CD ' ' H ' ' A' ' 93' ' ' GLN . 1.2 mp0 -42.53 -18.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.989 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -76.16 -53.03 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 1.0 110.415 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.2 mm -53.34 -21.82 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.566 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -75.61 -50.71 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.543 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -62.31 -33.72 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.11 -59.13 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.063 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.419 178.522 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.876 0.37 . . . . 1.0 110.582 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -82.11 -48.22 11.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.403 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.6 p -59.09 -29.66 67.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.473 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.426 HD13 ' C ' ' B' ' 13' ' ' LEU . 0.3 OUTLIER -65.2 -67.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.267 -179.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -43.39 -25.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.595 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -73.06 -36.94 66.97 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.854 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.53 ' O ' ' CE2' ' B' ' 20' ' ' PHE . 27.2 t -64.12 -24.19 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.319 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 29.1 m -91.69 -38.26 12.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.708 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' B' ' 22' ' ' ALA . 57.3 tt0 -63.14 -13.35 35.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.797 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 7.8 pt -81.4 -33.82 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.888 -0.325 . . . . 1.0 110.946 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' B' ' 16' ' ' VAL . 6.2 m-85 -76.16 -67.09 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.598 -0.441 . . . . 1.0 111.024 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -51.42 -39.83 58.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.288 -177.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' B' ' 18' ' ' GLU . . . -49.98 -19.61 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.551 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.9 mt -106.8 50.4 0.77 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.78 -71.59 1.18 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.523 ' OD2' ' NH1' ' B' ' 28' ' ' ARG . 57.6 t0 -44.15 131.63 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 1.0 111.15 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -65.68 -10.94 40.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.0 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -67.02 -43.88 81.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.298 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.689 ' NH2' HE22 ' B' ' 59' ' ' GLN . 7.9 mpt_? -73.12 -26.71 61.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.574 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 31.3 mm -67.61 -39.41 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.763 -0.375 . . . . 1.0 110.863 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -71.94 -32.95 67.82 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.793 -0.363 . . . . 1.0 110.688 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.43 -56.93 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.471 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 65.4 mtp -49.14 -39.54 29.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.496 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.84 -31.83 73.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.796 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.462 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.3 OUTLIER -70.47 -57.33 4.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.053 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.533 ' N ' HD12 ' B' ' 35' ' ' LEU . 10.2 mp -56.34 -16.8 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.527 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.3 m -69.97 -42.23 73.43 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.651 -0.419 . . . . 1.0 110.212 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 t -77.28 -40.36 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.566 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 45.9 t -164.84 135.65 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.515 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -53.87 169.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.14 148.83 22.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.873 0.368 . . . . 1.0 110.832 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 50.6 m -80.5 164.78 22.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.219 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.616 HG13 ' N ' ' B' ' 43' ' ' GLY . 10.5 p -52.65 -52.37 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.633 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.616 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -69.19 -36.63 80.1 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 121.105 -0.569 . . . . 1.0 111.687 -177.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.8 -28.46 66.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.714 0.292 . . . . 1.0 111.122 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.8 mt -74.73 -19.14 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.725 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 23.7 p -56.62 -49.1 75.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 1.0 110.906 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -60.19 -11.85 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.023 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -77.43 -55.39 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.928 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.4 mt -132.82 42.54 3.06 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.372 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 61.68 -130.29 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.549 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 22.8 mt 57.61 -178.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.784 0.326 . . . . 1.0 110.515 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.1 m -121.34 175.85 5.94 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.573 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -66.53 -34.12 77.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.729 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 59.6 p -71.06 -44.54 65.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.594 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -58.92 -44.12 91.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.727 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 92.3 t -68.59 -30.56 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.753 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 22.7 p -59.02 -34.73 72.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.58 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -36.27 59.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.102 -178.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.689 HE22 ' NH2' ' B' ' 28' ' ' ARG . 23.2 mm100 -68.21 -66.21 0.6 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.996 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 43.1 mt -48.59 -25.38 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.942 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -70.66 -40.96 72.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 1.0 110.344 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.447 ' O ' HD23 ' B' ' 62' ' ' LEU . 3.2 tt -57.22 -56.02 27.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.052 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.545 HD12 ' N ' ' B' ' 63' ' ' LEU . 8.4 mp -58.09 -26.91 63.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.308 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -73.52 -10.65 59.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.433 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -81.51 -50.2 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.689 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.852 HG13 ' H ' ' B' ' 67' ' ' HIS . 5.6 p -64.72 -70.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.575 -0.45 . . . . 1.0 111.565 -175.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.852 ' H ' HG13 ' B' ' 66' ' ' VAL . 29.0 t-80 -176.85 0.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.108 -0.237 . . . . 1.0 111.475 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.426 ' H ' ' H ' ' B' ' 67' ' ' HIS . 10.4 mp -103.51 152.69 21.39 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.74 -0.467 . . . . 1.0 109.74 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.1 t 63.62 146.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.067 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -151.4 140.81 21.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.749 -0.66 . . . . 1.0 109.867 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.66 142.0 34.54 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.99 0.424 . . . . 1.0 110.791 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -146.42 113.54 6.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.731 178.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -60.66 151.43 29.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.372 -174.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -152.91 96.69 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.517 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 63.42 48.44 78.5 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 70.75 -22.29 0.18 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.552 0.215 . . . . 1.0 111.154 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . 0.495 ' H ' ' C ' ' B' ' 75' ' ' GLY . 14.8 m -84.14 119.84 25.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.8 0.333 . . . . 1.0 110.591 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -83.37 124.49 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.598 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.442 HG22 ' N ' ' B' ' 80' ' ' TYR . 85.9 mt -129.42 155.51 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.21 -179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.484 ' CD1' ' N ' ' B' ' 80' ' ' TYR . 5.2 m-85 -127.59 159.56 34.27 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.419 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 66.6 m -159.96 -167.94 2.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.796 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.31 150.19 47.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.745 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -81.38 -21.54 38.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.384 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.505 ' OD2' ' ND1' ' B' ' 86' ' ' HIS . 26.7 t70 -172.03 178.17 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.127 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.466 ' O ' ' HB3' ' B' ' 88' ' ' ALA . 34.5 mt -78.99 -27.33 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 1.0 110.817 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.505 ' ND1' ' OD2' ' B' ' 84' ' ' ASP . 41.5 m80 -52.46 -65.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.009 -178.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 7.6 p -45.42 -29.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.098 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 85' ' ' ILE . . . -62.77 -59.09 5.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.359 . . . . 1.0 110.59 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.421 ' O ' ' OE1' ' B' ' 93' ' ' GLN . 71.8 p -62.55 -29.67 70.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.586 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 15.2 ttt -48.6 -54.67 13.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.795 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 25.8 mt -68.25 -23.95 64.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.933 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -67.69 -70.22 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.593 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.474 ' CD ' ' H ' ' B' ' 93' ' ' GLN . 7.5 mp0 -53.43 -12.11 0.4 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.948 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.0 -46.45 57.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.402 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 77.2 mt -72.67 -14.36 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.809 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.58 -51.18 53.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.764 -0.374 . . . . 1.0 110.299 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -63.14 -22.97 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.383 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.62 87.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.666 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.454 179.756 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.813 0.34 . . . . 1.0 110.584 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -76.0 -24.5 55.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.526 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.8 p -76.26 -65.86 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.587 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.4 tp -46.2 -24.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.341 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -73.39 -55.31 6.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.478 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.43 ' C ' ' N ' ' A' ' 17' ' ' THR . 27.4 ttp180 -50.99 -35.19 32.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.882 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.6 t -46.15 -18.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.712 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.43 ' N ' ' C ' ' A' ' 15' ' ' ARG . 84.6 m -88.0 -37.08 16.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.703 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' ARG . 77.2 mt-10 -67.89 -34.52 76.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.531 -177.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.9 pt -60.66 -27.47 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.85 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -77.72 -46.72 20.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.487 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -50.94 -20.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 1.0 110.466 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.2 -38.07 84.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.174 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 23' ' ' LEU . 9.5 mp -72.6 -11.47 60.66 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 177.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.11 -24.11 0.51 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.939 -0.865 . . . . 1.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -79.0 143.28 35.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 1.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' ARG . 51.6 t80 -87.59 -71.6 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.235 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -45.2 -13.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.511 -177.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -75.18 -42.87 54.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.749 0.309 . . . . 1.0 110.389 -179.014 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 tp -56.89 -41.26 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.876 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -67.08 -32.68 74.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.033 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.6 mt -74.54 -35.12 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.651 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.6 ttt -62.05 -39.53 92.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.711 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' C ' ' N ' ' A' ' 35' ' ' LEU . 62.3 mm-40 -59.02 -68.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.146 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -52.1 -11.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.193 -177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.447 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.4 tt -79.93 -59.5 2.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.055 0.455 . . . . 1.0 109.994 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.5 t -47.73 -39.21 17.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.586 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.29 -36.85 71.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.418 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 35' ' ' LEU . 82.7 p -169.86 157.63 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.558 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -59.53 166.25 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.085 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.33 126.49 5.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 1.0 110.82 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t -77.12 -159.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.404 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -68.32 -63.75 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.402 . . . . 1.0 110.595 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.16 -35.63 88.32 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.17 -0.772 . . . . 1.0 111.17 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -49.73 -28.17 5.76 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 122.771 -0.252 . . . . 1.0 111.268 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 92.9 mt -74.06 -55.2 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.839 -0.344 . . . . 1.0 110.863 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.415 ' O ' ' OD1' ' A' ' 50' ' ' ASN . 99.0 p -69.75 -3.82 17.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.37 . . . . 1.0 110.353 178.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -35.3 -48.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.642 -0.708 . . . . 1.0 112.599 -175.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -97.05 -45.33 6.61 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.847 0.356 . . . . 1.0 110.782 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.2 mt -57.42 -58.21 9.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.741 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 46' ' ' SER . 1.6 m120 56.06 92.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.647 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -143.71 -65.67 0.37 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.216 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.3 m -155.19 121.2 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.624 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -74.34 -34.94 63.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.654 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.5 m -59.17 -26.14 64.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.355 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -76.69 -40.23 49.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.462 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.3 -40.95 82.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.484 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -62.17 -34.11 75.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.361 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -73.72 -64.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.705 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -49.97 -50.2 47.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.745 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.1 tp -49.11 -37.47 21.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.664 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -69.94 -35.59 74.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.678 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.75 -38.64 85.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.473 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.49 -21.01 65.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.763 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -72.27 -21.5 61.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.278 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 67' ' ' HIS . 83.8 p -72.01 -59.55 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.668 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 66' ' ' VAL . 3.1 t -59.18 -6.55 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.926 0.393 . . . . 1.0 110.125 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.414 ' H ' ' C ' ' A' ' 65' ' ' SER . 8.8 t-160 66.69 10.54 7.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.742 177.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.86 -9.28 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.423 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.555 HG12 ' N ' ' A' ' 70' ' ' LYS . 63.9 t -142.56 162.4 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.664 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.555 ' N ' HG12 ' A' ' 69' ' ' VAL . 31.4 ttmt -142.71 135.01 27.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.152 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.53 156.81 19.68 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.632 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -139.82 156.04 46.94 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.006 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -88.88 140.62 29.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.81 0.338 . . . . 1.0 110.704 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -153.24 99.78 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.104 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.19 -132.56 13.61 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.472 -1.051 . . . . 1.0 110.472 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -102.03 24.65 9.76 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.028 0.442 . . . . 1.0 109.933 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.0 p -150.68 168.75 23.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.521 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.6 ptp -115.57 143.9 44.66 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.539 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.2 mm -116.15 127.28 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.194 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -92.8 138.14 31.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.043 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.3 m -154.51 -176.38 5.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.919 0.39 . . . . 1.0 110.787 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.95 143.77 57.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.78 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -79.93 -17.17 53.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.381 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 37.2 t0 -172.21 168.0 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.52 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.406 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 21.1 pt -75.59 -10.19 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.795 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -68.92 -29.62 67.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.797 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.4 t -61.87 -46.71 95.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.122 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.78 -35.58 61.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.994 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.9 m -78.2 -62.82 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.944 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 90' ' ' MET . 2.1 tmt? -43.35 -39.04 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.974 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.6 tp -61.33 -68.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.602 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -58.1 -47.2 83.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.785 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -49.11 -22.03 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.413 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.64 -52.68 8.09 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.696 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.655 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.9 mp -58.66 -13.04 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.88 -0.415 . . . . 1.0 109.88 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' A' ' 99' ' ' ASN . 1.4 m-70 -76.09 -54.61 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.758 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -57.66 -30.93 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.789 -0.364 . . . . 1.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.41 -49.32 72.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.788 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.431 ' O ' ' O ' ' A' ' 96' ' ' HIS . 13.4 p30 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.553 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.1 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.864 0.364 . . . . 1.0 110.611 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -56.8 -52.86 63.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.647 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 65.3 p -60.01 -50.17 74.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.491 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 38.0 tp -43.41 -30.01 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.825 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -73.84 -57.23 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.853 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' B' ' 17' ' ' THR . 45.5 mtp180 -49.99 -47.8 52.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.745 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.411 ' O ' HG12 ' B' ' 16' ' ' VAL . 85.7 t -44.33 -16.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.888 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.51 ' N ' ' O ' ' B' ' 15' ' ' ARG . 8.2 m -84.53 -45.53 12.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.379 -178.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -15.13 63.48 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.59 -177.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 46.2 mm -58.77 -52.44 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.383 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -64.62 -53.3 49.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.637 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.461 ' C ' ' H ' ' B' ' 23' ' ' LEU . 85.7 tttt -49.88 -42.4 47.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.506 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.28 16.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.535 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.481 HD13 ' O ' ' B' ' 23' ' ' LEU . 0.2 OUTLIER -130.31 -14.38 3.8 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 -178.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.56 93.96 0.22 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.137 -0.785 . . . . 1.0 111.137 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.534 ' CB ' HH11 ' B' ' 28' ' ' ARG . 26.4 t70 -170.3 164.57 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.159 -0.311 . . . . 1.0 110.159 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 34.5 m-85 -88.77 -52.23 5.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.106 0.479 . . . . 1.0 111.068 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -60.84 -25.61 66.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.709 -0.678 . . . . 1.0 111.56 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.534 HH11 ' CB ' ' B' ' 25' ' ' ASP . 75.5 mtt85 -75.47 -16.12 60.35 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.738 -0.385 . . . . 1.0 110.744 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 mm -77.11 -47.12 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.731 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -76.09 -37.56 58.04 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.819 -0.352 . . . . 1.0 111.206 -178.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 93.2 mt -64.67 -59.2 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.336 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 25.1 ttt -48.56 -35.48 13.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.712 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.96 -50.32 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.552 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.479 ' O ' HD23 ' B' ' 34' ' ' LEU . 1.8 tt -46.94 -56.67 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.195 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 30.5 mt -43.51 -49.8 7.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.016 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.0 m -54.29 -40.98 68.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.878 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -70.13 -54.12 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 1.0 110.824 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 92.1 p -162.42 151.03 14.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.486 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -56.72 170.51 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.435 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.51 174.43 12.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.108 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.422 ' H ' ' HB3' ' B' ' 44' ' ' HIS . 57.8 p -121.42 -173.15 2.56 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.811 -0.44 . . . . 1.0 109.811 178.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.624 HG13 ' N ' ' B' ' 43' ' ' GLY . 7.3 p -62.97 -56.72 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.747 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.624 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -74.18 -37.99 47.75 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 121.205 -0.521 . . . . 1.0 112.177 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.422 ' HB3' ' H ' ' B' ' 41' ' ' SER . 25.1 t60 -51.11 -24.84 4.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.969 0.385 . . . . 1.0 110.942 -177.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.57 HG22 ' O ' ' B' ' 42' ' ' VAL . 10.1 tp -61.31 -16.23 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.125 0.488 . . . . 1.0 110.129 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.529 ' O ' ' N ' ' B' ' 50' ' ' ASN . 58.7 p -64.15 -59.44 4.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.68 -0.691 . . . . 1.0 111.014 -178.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -40.7 -22.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.092 0.472 . . . . 1.0 110.71 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' B' ' 46' ' ' SER . 7.5 tp-100 -92.18 -44.78 8.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.518 -0.765 . . . . 1.0 110.026 177.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' B' ' 46' ' ' SER . 21.5 mt -141.47 63.41 1.43 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.196 -0.457 . . . . 1.0 109.962 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' B' ' 46' ' ' SER . 54.6 t-20 -58.49 81.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.785 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' B' ' 49' ' ' LEU . 27.1 mt -133.85 -171.99 2.87 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.164 -0.471 . . . . 1.0 109.9 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 58.4 m -49.05 110.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.528 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -46.16 -38.77 8.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.794 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 27.7 m -48.59 -28.27 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.607 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.96 -24.74 65.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.077 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 94.5 t -73.44 -50.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 1.0 110.774 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 11.7 t -51.41 -40.1 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.614 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -64.56 -48.93 73.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.985 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -58.06 -69.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.869 0.366 . . . . 1.0 111.184 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' B' ' 60' ' ' LEU . 48.0 mt -40.92 -27.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.222 -178.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -68.99 -43.47 74.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.237 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 mt -73.71 -57.52 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.301 . . . . 1.0 111.162 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.575 HD12 ' N ' ' B' ' 63' ' ' LEU . 9.9 mp -45.79 -41.08 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.359 . . . . 1.0 110.424 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.63 -31.67 69.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.799 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.501 ' OG ' ' N ' ' B' ' 66' ' ' VAL . 19.4 p -48.7 -61.06 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.688 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.501 ' N ' ' OG ' ' B' ' 65' ' ' SER . 6.7 m -75.63 2.4 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.735 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 48.1 m80 57.17 33.93 24.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.808 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -76.25 -10.99 59.83 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.805 -0.813 . . . . 1.0 108.805 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.417 HG12 ' N ' ' B' ' 70' ' ' LYS . 52.3 t -135.76 155.33 35.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.835 -0.62 . . . . 1.0 109.837 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.417 ' N ' HG12 ' B' ' 69' ' ' VAL . 46.2 mmtt -133.52 127.23 32.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.981 0.42 . . . . 1.0 110.198 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.58 138.27 39.71 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.047 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -130.5 149.62 52.08 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.168 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -93.64 136.05 34.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.145 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -143.16 87.56 1.97 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.457 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.1 -65.45 2.64 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -158.35 -23.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.6 0.238 . . . . 1.0 110.837 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 34.3 t -89.01 130.69 35.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.75 0.31 . . . . 1.0 110.765 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.488 ' O ' ' CE2' ' B' ' 80' ' ' TYR . 60.3 mmm -87.27 99.44 11.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.279 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 13.9 mm -81.17 149.53 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.991 0.424 . . . . 1.0 111.045 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.488 ' CE2' ' O ' ' B' ' 78' ' ' MET . 55.9 m-85 -130.07 141.73 50.68 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.905 -0.588 . . . . 1.0 109.835 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' B' ' 82' ' ' LEU . 41.7 t -158.29 -168.34 2.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.038 0.446 . . . . 1.0 110.966 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.437 ' N ' ' OG ' ' B' ' 81' ' ' SER . 18.1 mt -68.4 147.96 51.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.792 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 83' ' ' ASP . 5.0 t70 -83.83 -23.02 31.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.441 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -168.02 150.17 5.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.33 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 17.0 mm -59.98 -21.37 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.638 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -70.17 -15.35 62.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.693 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 59.4 t -75.78 -43.65 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.709 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.73 -54.24 47.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.754 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 10.0 m -55.13 -45.33 75.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.749 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . 0.437 ' C ' ' SD ' ' B' ' 90' ' ' MET . 1.8 tmt? -53.56 -44.95 69.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.741 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.7 tp -59.7 -44.65 93.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.819 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.479 ' NZ ' ' CB ' ' B' ' 92' ' ' LYS . 8.1 mtpm? -67.33 -56.66 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.995 -178.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -51.72 -20.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.238 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.12 -68.11 0.72 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.834 0.349 . . . . 1.0 110.814 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 73.8 mt -50.84 -21.55 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.705 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 -75.97 -39.81 55.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.882 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -77.69 -13.96 59.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.528 -0.306 . . . . 1.0 110.874 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.94 -52.94 3.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.758 0.313 . . . . 1.0 111.204 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.672 179.839 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 12' ' ' THR . 68.4 p . . . . . 0 N--CA 1.461 0.089 0 CA-C-O 120.768 0.318 . . . . 1.0 110.257 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.402 ' N ' ' OG1' ' A' ' 10' ' ' THR . 34.8 t70 -33.64 -27.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.534 -0.757 . . . . 1.0 112.252 -176.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' THR . 18.6 p -69.72 -71.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.562 -0.29 . . . . 1.0 111.058 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 13' ' ' LEU . 9.7 mp -68.03 -9.26 44.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.076 -177.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -79.78 -35.96 37.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.742 0.306 . . . . 1.0 110.844 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -81.51 -39.15 25.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.552 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.2 t -57.01 -39.15 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.368 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 19' ' ' ILE . 36.7 m -63.19 -61.8 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.334 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -36.4 -29.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.829 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' THR . 83.6 mt -54.92 -53.41 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.445 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' LEU . 14.9 m-85 -75.83 -61.06 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.874 -179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -43.32 -45.75 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.157 -178.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.93 -24.24 66.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.88 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' PHE . 6.3 tp -83.13 29.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.362 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.49 82.31 1.68 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -161.98 146.12 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.699 0.285 . . . . 1.0 110.306 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -87.75 -67.45 0.82 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.061 0.457 . . . . 1.0 110.83 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -52.57 -15.45 0.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.109 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -76.77 -30.31 56.45 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.898 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.3 mm -72.57 -37.03 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.859 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.487 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 48.8 ttt85 -71.6 -31.0 66.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.749 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.1 mt -73.24 -50.45 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.342 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.4 tpt -52.21 -36.15 51.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.53 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -55.73 -62.53 1.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.4 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.6 tp -49.23 -54.46 16.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.299 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -42.15 -53.44 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.744 -179.556 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 m -55.72 -45.57 77.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.161 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.48 -30.53 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.499 -0.319 . . . . 1.0 110.99 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t 172.11 138.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.581 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -55.79 154.04 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.647 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.513 ' O ' ' CE1' ' A' ' 80' ' ' TYR . . . -156.96 164.83 37.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.345 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.7 p -89.76 161.55 15.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.4 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 81.5 t -50.76 -51.57 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.717 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.56 -36.83 90.9 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.528 -0.629 . . . . 1.0 111.528 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -65.34 -31.79 73.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.66 0.267 . . . . 1.0 111.017 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.62 -28.11 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.841 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 50' ' ' ASN . 55.5 p -53.66 -24.49 14.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.083 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -79.02 -11.38 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.947 0.403 . . . . 1.0 110.534 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 30' ' ' ARG . 60.6 tt0 -75.68 -45.77 35.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.863 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.8 tp -171.46 -28.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.785 -0.366 . . . . 1.0 110.984 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.528 HD22 ' CG ' ' A' ' 55' ' ' ASN . 8.5 m120 -81.6 128.0 33.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.884 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 51' ' ' LEU . 3.4 mm? -101.34 24.65 9.27 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 177.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.504 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 3.3 p -157.56 138.06 12.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.107 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -85.02 -21.38 29.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.33 -178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.0 p -66.57 -36.04 81.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.557 -0.292 . . . . 1.0 111.261 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.528 ' CG ' HD22 ' A' ' 50' ' ' ASN . 18.6 p30 -67.87 -36.47 80.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.733 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.526 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 10.5 t -68.42 -36.88 76.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.753 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.6 m -56.91 -40.85 77.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.865 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.525 ' ND1' ' N ' ' A' ' 58' ' ' HIS . 1.3 m-70 -75.67 -60.29 2.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.932 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -49.04 -53.62 19.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.011 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.5 tp -56.49 -33.49 66.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.785 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -60.71 -31.4 70.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 1.0 110.679 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.5 mt -70.08 -54.13 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.667 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.7 mp -52.79 -35.66 57.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.196 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -61.47 -29.91 70.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.39 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 t -74.28 -33.11 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.406 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.22 -0.88 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.108 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 66.04 9.06 5.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.256 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.3 mt -74.32 -12.97 60.68 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.749 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.559 HG22 ' N ' ' A' ' 70' ' ' LYS . 7.2 p -145.48 162.81 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-O 120.96 0.409 . . . . 1.0 110.59 -178.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' N ' HG22 ' A' ' 69' ' ' VAL . 0.9 OUTLIER -142.87 174.88 10.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.109 -179.664 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -153.88 158.87 41.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 1.0 110.506 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -148.87 161.38 41.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.037 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -93.34 136.9 33.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.371 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -153.02 80.57 1.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.54 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 79.03 49.47 6.36 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.085 -0.806 . . . . 1.0 111.085 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 69.32 -16.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.558 0.218 . . . . 1.0 111.28 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.504 ' H ' ' C ' ' A' ' 75' ' ' GLY . 25.3 p -87.98 120.85 29.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.815 0.34 . . . . 1.0 110.606 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 29.5 mtt -83.25 87.95 6.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.501 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.8 mm -88.61 159.15 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.656 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.513 ' CE1' ' O ' ' A' ' 40' ' ' ALA . 5.3 p90 -150.08 175.89 11.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.219 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 31.3 t -157.44 -175.59 5.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.626 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.466 ' N ' ' OG ' ' A' ' 81' ' ' SER . 59.5 tp -73.31 151.69 41.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.454 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.419 ' OD2' ' OD1' ' A' ' 84' ' ' ASP . 15.8 t70 -46.79 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.734 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.419 ' OD1' ' OD2' ' A' ' 83' ' ' ASP . 8.3 m-20 -157.82 -167.92 2.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.994 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.405 HG12 ' H ' ' A' ' 85' ' ' ILE . 13.8 pt -70.02 5.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.629 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.415 ' H ' ' C ' ' A' ' 84' ' ' ASP . 33.6 m170 -83.12 -93.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.886 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.5 t -45.89 -23.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.912 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.85 -51.94 20.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.969 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.1 m -77.97 -41.09 37.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.056 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 35.3 ttp -44.73 -42.22 7.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.967 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.451 ' C ' HD23 ' A' ' 91' ' ' LEU . 3.6 tt -72.1 -57.87 3.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.207 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -60.75 -10.53 5.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -89.3 -25.92 21.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.951 0.405 . . . . 1.0 110.605 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.88 -61.3 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.627 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 95' ' ' ILE . 13.9 pt -62.02 -22.38 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.65 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -70.3 -41.67 73.02 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.337 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 97' ' ' HIS . 57.9 t60 -73.2 -6.19 44.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.55 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.54 97.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.004 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 10.4 p30 . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.519 -179.354 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.811 0.339 . . . . 1.0 110.808 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.95 -28.34 69.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.331 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.457 ' C ' ' N ' ' B' ' 14' ' ' GLU . 95.6 m -79.37 -48.92 13.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.739 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.501 ' N ' HD12 ' B' ' 13' ' ' LEU . 8.6 mp -48.22 -16.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 1.0 109.914 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.457 ' N ' ' C ' ' B' ' 12' ' ' THR . 42.2 mt-10 -84.38 -52.81 5.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.354 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' B' ' 18' ' ' GLU . 85.6 mtm-85 -60.82 -46.99 88.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.498 -177.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.462 HG23 ' N ' ' B' ' 17' ' ' THR . 32.8 m -42.7 -39.75 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.641 0.258 . . . . 1.0 111.273 -178.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.462 ' N ' HG23 ' B' ' 16' ' ' VAL . 18.5 p -62.36 -34.12 76.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 1.0 110.776 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 15' ' ' ARG . 13.2 tm-20 -68.76 -22.46 64.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.615 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.3 mt -74.24 -33.93 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.948 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -77.86 -59.56 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.851 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -46.86 -32.3 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.103 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.454 ' O ' ' CZ ' ' B' ' 28' ' ' ARG . . . -59.31 -22.1 60.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.091 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -94.0 30.32 1.9 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.71 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.42 -87.16 0.02 OUTLIER Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.536 -0.626 . . . . 1.0 111.536 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 26' ' ' TYR . 9.7 t0 -41.88 150.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.36 . . . . 1.0 111.265 -177.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.446 ' N ' ' OD1' ' B' ' 25' ' ' ASP . 41.3 p90 -86.94 -14.72 41.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.624 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.526 ' OD1' ' N ' ' B' ' 28' ' ' ARG . 22.0 p30 -79.49 -39.25 32.56 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.962 -0.295 . . . . 1.0 111.248 -177.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.526 ' N ' ' OD1' ' B' ' 27' ' ' ASN . 11.2 ptm180 -68.15 -37.5 81.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 1.0 111.0 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 17.3 tt -77.0 -22.16 14.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.674 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -67.91 -28.3 67.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.967 0.413 . . . . 1.0 110.133 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.26 -40.41 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.304 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 46.0 mtt -57.26 -30.07 64.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.187 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -71.07 -28.94 64.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.973 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.447 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -68.72 -55.39 11.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.875 -0.602 . . . . 1.0 109.949 178.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -53.52 -23.1 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.942 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -71.17 -50.07 37.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 1.0 110.548 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.6 -34.87 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.477 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t 170.26 156.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.411 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.75 159.46 34.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.509 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.23 172.26 18.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.702 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 94.1 p -92.85 152.0 19.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.415 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.574 HG13 ' N ' ' B' ' 43' ' ' GLY . 14.1 p -50.58 -47.19 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.958 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.574 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -65.75 -30.88 78.22 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 120.967 -0.635 . . . . 1.0 111.549 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -75.73 -36.98 59.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.734 0.272 . . . . 1.0 111.734 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.651 HD12 ' C ' ' B' ' 45' ' ' ILE . 2.4 pp -81.08 -12.7 12.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 121.028 -0.269 . . . . 1.0 110.834 -178.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.637 ' N ' HD12 ' B' ' 45' ' ' ILE . 5.3 t -60.35 -5.84 1.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.92 0.391 . . . . 1.0 110.375 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.413 ' H ' ' C ' ' B' ' 45' ' ' ILE . 1.6 m-70 -82.3 -10.36 59.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.561 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -73.84 -55.57 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.333 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 pp -172.99 -17.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.551 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' B' ' 46' ' ' SER . 34.1 m120 -85.69 143.76 28.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.147 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.436 HD12 ' C ' ' B' ' 51' ' ' LEU . 0.3 OUTLIER -149.48 29.92 0.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.036 -0.357 . . . . 1.0 110.036 -178.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.406 ' C ' ' N ' ' B' ' 54' ' ' SER . 10.9 t -142.27 96.13 2.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.203 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -48.66 -17.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.86 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.406 ' N ' ' C ' ' B' ' 52' ' ' SER . 32.6 t -85.33 -40.73 16.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.303 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -73.86 -42.77 60.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.15 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.53 HG13 ' N ' ' B' ' 57' ' ' SER . 10.9 p -72.39 -43.54 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.978 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.53 ' N ' HG13 ' B' ' 56' ' ' VAL . 42.6 t -59.41 -23.98 63.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.954 0.407 . . . . 1.0 110.529 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -78.64 -55.1 5.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.257 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -47.38 -50.81 21.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.855 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.2 mt -55.16 -32.11 61.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.891 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -69.5 -38.17 77.51 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.776 -0.369 . . . . 1.0 110.735 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -69.64 -36.15 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.682 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 tp -76.54 -29.55 56.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 1.0 110.362 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.13 -50.0 59.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 1.0 109.97 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.44 ' C ' ' H ' ' B' ' 67' ' ' HIS . 18.4 p -50.77 -40.5 55.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.773 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.1 -1.1 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.115 0.484 . . . . 1.0 109.836 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.44 ' H ' ' C ' ' B' ' 65' ' ' SER . 14.4 t60 73.0 15.66 4.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.294 -0.866 . . . . 1.0 112.25 175.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' B' ' 68' ' ' LEU . 7.3 mp -83.36 -103.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.947 -0.39 . . . . 1.0 109.947 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 31.6 m -52.95 157.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.956 0.408 . . . . 1.0 110.952 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -152.73 126.96 9.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.892 -0.594 . . . . 1.0 110.148 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.67 133.21 48.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.696 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -121.22 161.4 21.98 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.177 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -88.79 123.21 32.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.212 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . 0.415 ' O ' ' OG ' ' B' ' 77' ' ' SER . 39.8 tt0 -152.8 104.25 2.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.538 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 56.46 52.03 52.65 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.094 -0.802 . . . . 1.0 111.094 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 54.98 5.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.612 0.244 . . . . 1.0 111.095 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . 0.492 ' H ' ' C ' ' B' ' 75' ' ' GLY . 13.1 p -107.81 120.1 41.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.774 0.321 . . . . 1.0 110.262 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.421 ' O ' ' CE1' ' B' ' 80' ' ' TYR . 49.9 mtt -85.49 87.71 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.549 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.466 HG22 ' N ' ' B' ' 80' ' ' TYR . 97.3 mt -80.64 155.9 4.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.389 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.466 ' N ' HG22 ' B' ' 79' ' ' ILE . 9.0 m-85 -125.3 137.96 54.08 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.418 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 11.0 m -147.99 178.28 8.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.421 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -69.76 164.28 23.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.88 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -81.08 -45.76 16.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.582 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' B' ' 85' ' ' ILE . 20.3 t70 -172.68 -169.29 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.199 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.527 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 12.0 mm -77.68 86.35 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 1.0 110.611 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' B' ' 85' ' ' ILE . 29.3 m80 -159.39 -86.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.827 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 24.6 m -46.09 -20.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.532 . . . . 1.0 111.328 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.07 -55.37 35.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 1.0 110.829 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 69.4 p -66.89 -30.78 71.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.053 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 26.3 ttt -51.85 -53.47 40.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.646 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.72 -43.85 76.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.466 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -65.85 -67.88 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 1.0 110.674 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -41.09 -26.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.311 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.8 -70.25 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.041 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.0 tt -60.82 -19.11 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.694 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -76.5 -23.83 53.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.337 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -70.41 -56.69 6.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.671 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.42 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.924 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.958 -178.779 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.0 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.831 0.348 . . . . 1.0 110.59 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -78.38 -64.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.512 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.3 p -57.4 -28.44 63.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.483 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -58.11 -60.34 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.117 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -50.18 -24.43 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.591 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -78.82 -20.7 49.07 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.819 -0.353 . . . . 1.0 110.908 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.7 -18.18 23.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.379 . . . . 1.0 110.111 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 23.6 p -89.14 -59.61 2.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.388 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.434 ' N ' ' OG1' ' A' ' 17' ' ' THR . 77.4 tt0 -39.66 -34.65 0.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.915 -177.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 pt -62.31 -35.61 70.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.428 -0.509 . . . . 1.0 110.524 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -79.46 -59.28 2.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.709 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 6.7 mmmm -48.95 -28.51 3.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.267 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.52 -26.77 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.645 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 23' ' ' LEU . 7.1 mp -92.63 -17.51 24.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.175 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.34 73.39 0.01 OUTLIER Glycine 0 CA--C 1.527 0.831 0 CA-C-N 115.884 -0.598 . . . . 1.0 111.712 -177.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' LEU . 30.5 t0 -173.79 123.52 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.96 0.41 . . . . 1.0 110.251 178.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -53.27 -31.95 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.753 -0.658 . . . . 1.0 112.316 -176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.473 ' ND2' ' CG ' ' A' ' 25' ' ' ASP . 10.7 p30 -82.03 -38.84 24.39 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.853 -0.339 . . . . 1.0 111.712 -176.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.769 ' HE ' HE22 ' A' ' 59' ' ' GLN . 99.0 mtt180 -73.2 -33.24 65.27 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.735 -0.386 . . . . 1.0 111.128 -178.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.0 tp -74.08 -36.29 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 1.0 111.319 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -70.58 -34.26 72.0 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.939 -0.304 . . . . 1.0 111.598 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 23.9 pt -74.72 -23.83 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.613 -0.435 . . . . 1.0 110.226 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.1 tpt -68.55 -35.59 77.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.24 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -67.14 -27.63 67.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.452 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.428 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -73.94 -60.31 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.223 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.7 mt -50.81 -17.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.491 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.5 m -74.16 -65.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.708 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.6 m -54.4 -37.78 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.703 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.5 p -169.3 151.14 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 1.0 110.716 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.66 169.71 5.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.554 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.86 144.29 18.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.524 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 t -79.05 172.2 14.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.316 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.595 HG13 ' N ' ' A' ' 43' ' ' GLY . 7.4 p -59.47 -55.83 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.803 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.595 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -74.54 -20.1 79.66 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.767 -0.73 . . . . 1.0 111.645 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -75.97 -37.72 58.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.807 0.303 . . . . 1.0 111.741 -176.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.9 tt -77.73 -13.54 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.599 -0.44 . . . . 1.0 110.454 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -59.36 -57.73 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.643 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -58.21 -19.56 34.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.681 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -72.71 3.24 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.05 0.452 . . . . 1.0 110.051 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.518 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -155.32 -3.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.488 -0.56 . . . . 1.0 109.488 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.6 t30 51.67 82.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.811 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.424 ' CD2' HD22 ' A' ' 55' ' ' ASN . 2.0 tp -165.09 -167.78 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.132 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.3 t -85.19 152.11 23.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.504 -0.316 . . . . 1.0 110.576 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -76.83 -20.3 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.954 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.438 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 22.9 p -75.07 -28.47 60.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.779 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.424 HD22 ' CD2' ' A' ' 51' ' ' LEU . 99.2 m-20 -69.94 -44.91 68.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.923 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 57' ' ' SER . 24.8 m -76.1 -40.28 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.808 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.469 ' N ' HG23 ' A' ' 56' ' ' VAL . 58.4 m -55.51 -31.99 62.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.102 0.477 . . . . 1.0 110.299 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 54' ' ' SER . 5.4 m-70 -69.12 -35.42 76.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.35 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.769 HE22 ' HE ' ' A' ' 28' ' ' ARG . 22.4 mm100 -64.81 -51.4 62.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.957 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 60' ' ' LEU . 20.5 mt -46.8 -31.91 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.624 -0.262 . . . . 1.0 111.044 -178.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -69.24 -42.34 75.79 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.499 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.0 mt -61.56 -55.93 25.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.604 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.4 mp -55.3 -32.48 62.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.542 -0.299 . . . . 1.0 110.273 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -66.03 -30.48 71.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.712 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.6 p -67.44 -39.24 85.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.671 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.4 t -80.35 35.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.437 . . . . 1.0 110.314 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 58.0 t-80 47.72 11.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 66' ' ' VAL . 7.3 tp -101.79 144.01 31.0 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.935 -0.394 . . . . 1.0 109.935 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 70' ' ' LYS . 59.8 t 59.22 156.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 1.0 110.86 -178.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.486 ' N ' HG12 ' A' ' 69' ' ' VAL . 25.3 pttm -164.08 157.52 18.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.26 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.74 150.22 28.64 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.923 0.392 . . . . 1.0 110.838 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -147.79 114.03 5.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.958 -0.565 . . . . 1.0 109.933 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 145.06 48.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.344 0.592 . . . . 1.0 111.603 -173.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -152.84 100.4 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.941 -1.027 . . . . 1.0 110.059 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.93 -116.51 4.35 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -111.67 -29.17 7.82 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.907 0.384 . . . . 1.0 110.254 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.0 m -88.43 149.3 23.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.819 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.518 ' O ' ' CE1' ' A' ' 80' ' ' TYR . 65.7 mtt -96.94 102.92 14.79 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.123 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.726 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.6 mp -86.46 135.78 24.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.507 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' A' ' 78' ' ' MET . 19.6 m-85 -118.19 152.9 34.77 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.063 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 91.1 p -159.17 -173.31 4.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.673 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 82' ' ' LEU . 3.0 mm? -69.87 156.24 39.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.368 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -65.52 -38.77 90.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.331 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 17.8 t70 -165.38 -176.9 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.712 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.457 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 13.8 pt -83.35 9.01 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.521 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 88' ' ' ALA . 50.5 m170 -83.37 -82.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.835 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 m -46.14 -19.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.802 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 86' ' ' HIS . . . -60.2 -53.47 57.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.521 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.5 p -58.8 -46.24 88.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.638 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.9 ttp -46.66 -40.06 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.631 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 10.6 tp -61.47 -49.49 76.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.469 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 94' ' ' ALA . 9.1 mtpm? -61.38 -60.69 3.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.82 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -43.36 -17.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.214 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -77.71 -49.42 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.977 -0.289 . . . . 1.0 110.723 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.626 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.6 mp -64.09 -13.9 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.64 -0.504 . . . . 1.0 109.64 178.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -75.13 -64.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.014 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -55.77 -21.35 18.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 1.0 110.547 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.91 -26.19 29.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.421 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.624 -179.906 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.756 0.313 . . . . 1.0 110.923 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -58.94 -36.24 74.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.578 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.531 HG23 ' N ' ' B' ' 13' ' ' LEU . 13.6 t -73.69 -44.64 56.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.605 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.531 ' N ' HG23 ' B' ' 12' ' ' THR . 38.3 tp -45.55 -26.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.454 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -88.72 -45.3 9.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.663 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -59.3 -45.88 90.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.943 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.427 HG23 ' N ' ' B' ' 17' ' ' THR . 34.0 m -50.73 -39.35 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.549 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.427 ' N ' HG23 ' B' ' 16' ' ' VAL . 18.2 m -55.64 -37.05 67.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.546 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -63.68 -27.05 68.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.828 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.472 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 64.2 mt -65.95 -38.1 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.495 -0.32 . . . . 1.0 110.768 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.429 ' C ' ' N ' ' B' ' 22' ' ' ALA . 75.0 m-85 -67.64 -62.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 1.0 110.644 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -49.6 -14.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.796 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -64.04 -37.42 87.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.066 -178.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -74.18 -76.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.578 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.73 -102.64 0.1 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.624 -0.59 . . . . 1.0 111.624 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.26 119.33 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 1.0 111.702 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.577 ' CE1' ' ND2' ' B' ' 27' ' ' ASN . 41.2 p90 -65.6 -16.24 63.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.182 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.577 ' ND2' ' CE1' ' B' ' 26' ' ' TYR . 69.4 m-80 -79.32 -31.23 43.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.952 0.406 . . . . 1.0 110.371 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -66.77 -43.1 84.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.914 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 15.7 pt -73.32 -25.45 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.22 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -65.76 -31.81 72.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.058 0.456 . . . . 1.0 110.196 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 87.5 mt -73.36 -28.36 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.203 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 26.2 ttt -70.83 -36.95 73.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -61.7 -63.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.079 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.27 -22.8 53.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.467 -0.333 . . . . 1.0 111.173 -177.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -81.27 -42.29 20.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.957 0.408 . . . . 1.0 110.086 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 28.5 t -53.62 -40.71 65.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.853 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 24.1 m -72.75 -28.75 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.7 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -161.01 111.89 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.818 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -46.39 167.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.613 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.91 147.83 23.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.921 0.391 . . . . 1.0 110.837 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.45 ' O ' ' CD1' ' B' ' 45' ' ' ILE . 9.5 m -79.25 -159.0 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.727 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 72.1 t -80.37 -65.63 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.75 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' B' ' 45' ' ' ILE . . . -62.15 -49.85 70.87 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.543 -0.623 . . . . 1.0 111.543 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -42.94 -20.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.791 -0.241 . . . . 1.0 111.405 -178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' B' ' 43' ' ' GLY . 90.7 mt -81.87 -33.57 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.552 -0.295 . . . . 1.0 111.208 -178.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 12.8 p -46.72 -42.7 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 1.0 111.097 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.44 ' ND1' ' N ' ' B' ' 47' ' ' HIS . 0.8 OUTLIER -69.33 -15.62 63.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.478 -178.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -73.58 -57.35 4.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.872 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 36.5 tp -173.88 -16.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.027 0.441 . . . . 1.0 110.537 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.594 HD22 ' N ' ' B' ' 50' ' ' ASN . 1.6 m120 -81.33 -11.19 59.39 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.398 0.518 . . . . 1.0 112.398 -176.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.498 ' N ' HD12 ' B' ' 51' ' ' LEU . 10.2 mp 42.41 -89.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.911 0.386 . . . . 1.0 110.891 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.542 ' N ' ' O ' ' B' ' 50' ' ' ASN . 13.2 p -56.39 128.64 36.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.366 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -76.04 -24.73 55.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.224 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.4 m -72.15 -27.91 62.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.874 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -69.88 -44.5 69.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.144 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.14 -36.33 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 1.0 110.86 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.5 m -62.88 -38.34 90.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.711 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -69.06 -58.42 4.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.896 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -54.25 -40.17 67.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.962 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.7 -31.67 71.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.589 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -67.51 -32.6 73.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.871 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 8.8 tp -67.27 -38.56 85.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.718 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 13.6 mt -65.58 -25.69 67.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.779 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -74.68 -28.5 60.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.553 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 6.8 m -66.94 -35.67 80.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.611 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.443 ' O ' HG12 ' B' ' 66' ' ' VAL . 25.1 t -79.44 -0.78 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.354 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 75.94 8.12 3.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.458 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' B' ' 69' ' ' VAL . 20.6 mt -62.41 -118.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.388 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' B' ' 68' ' ' LEU . 33.5 m -41.79 168.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.961 0.41 . . . . 1.0 111.421 -178.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -141.32 145.85 35.98 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.158 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . 0.428 ' HB2' ' CD2' ' B' ' 80' ' ' TYR . . . -106.46 134.9 48.89 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.977 -178.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -105.38 131.55 52.68 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.066 -0.516 . . . . 1.0 109.881 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -89.8 120.49 31.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.846 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -137.41 88.84 2.37 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.67 -164.2 42.68 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.443 -1.063 . . . . 1.0 110.443 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.86 -9.88 11.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 1.0 110.384 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 43.9 t -96.28 115.64 27.75 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.757 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 54.5 mtm -98.43 140.27 32.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.177 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.6 pt -139.51 162.25 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.398 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' B' ' 80' ' ' TYR . 8.5 m-85 -131.49 165.97 22.39 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.468 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 18.8 m -159.84 -172.57 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.708 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 25.8 mt -61.78 172.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.398 . . . . 1.0 110.785 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 0.5 OUTLIER -81.49 -72.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.497 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.548 ' CG ' ' HD1' ' B' ' 86' ' ' HIS . 30.2 p30 -161.91 -170.76 2.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 1.0 109.764 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.514 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 18.3 pt -71.88 58.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.882 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.548 ' HD1' ' CG ' ' B' ' 84' ' ' ASP . 33.1 m80 -146.03 -41.59 0.21 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.274 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.426 HG23 ' N ' ' B' ' 88' ' ' ALA . 28.8 m -81.12 -37.15 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.727 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.426 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -67.42 -34.39 77.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.848 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 25.7 p -67.07 -64.72 0.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.686 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -46.96 -22.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.839 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -67.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.357 -178.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -65.74 -8.87 23.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.098 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.412 ' O ' ' OE1' ' B' ' 93' ' ' GLN . 1.3 tm0? -85.47 -31.33 22.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.877 0.37 . . . . 1.0 110.208 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.18 -52.03 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.261 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 9.9 tp -53.38 -26.93 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.008 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -68.86 -42.19 77.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.036 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -70.84 -26.07 63.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.64 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.54 -33.78 60.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.762 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.812 -179.305 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.736 0.303 . . . . 1.0 110.723 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -68.12 -61.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.259 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.4 p -55.36 -32.97 63.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.406 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.552 ' O ' HD23 ' A' ' 13' ' ' LEU . 1.2 tt -63.19 -17.08 62.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.252 0.549 . . . . 1.0 109.755 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -80.86 -14.68 57.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.869 -0.789 . . . . 1.0 108.869 174.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -96.55 -32.15 12.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.075 -0.966 . . . . 1.0 111.851 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.7 m -73.26 -12.81 15.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.258 -0.577 . . . . 1.0 110.562 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.9 m -88.75 -70.12 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.564 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -46.46 -31.55 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.489 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.485 HG23 ' N ' ' A' ' 20' ' ' PHE . 17.8 tt -51.78 -42.32 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.345 . . . . 1.0 110.703 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.485 ' N ' HG23 ' A' ' 19' ' ' ILE . 59.2 m-85 -73.42 -49.52 26.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.803 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -46.66 -25.83 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.922 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.22 68.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.917 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -85.91 -6.76 59.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.735 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.58 -64.39 1.62 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.405 -0.678 . . . . 1.0 111.405 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -44.6 110.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.877 0.37 . . . . 1.0 110.963 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -63.26 -18.85 64.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.938 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -77.79 -38.25 47.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.79 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -72.77 -50.71 22.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.991 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.427 HD12 ' SD ' ' A' ' 32' ' ' MET . 10.2 tp -54.98 -28.76 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.581 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -68.69 -28.49 66.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.693 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.9 mt -75.4 -33.05 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.415 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.427 ' SD ' HD12 ' A' ' 29' ' ' ILE . 52.6 mtt -65.06 -35.41 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.571 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.07 -39.07 88.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.661 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.66 -59.18 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.384 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 41.2 mt -54.27 -20.39 6.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.728 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -70.02 -43.52 71.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.465 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.0 t -76.55 -29.44 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.537 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.0 p -173.45 130.87 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.826 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -72.13 155.16 40.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.496 179.162 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.36 -177.59 6.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.841 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 m -95.37 155.85 16.57 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.197 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -49.02 -42.26 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.398 -0.364 . . . . 1.0 111.304 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.99 -42.38 94.75 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 121.198 -0.525 . . . . 1.0 112.368 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -70.08 -34.76 73.58 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 122.636 -0.332 . . . . 1.0 111.746 -175.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.484 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 31.0 pt -73.35 -13.21 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.276 -0.57 . . . . 1.0 109.981 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 50' ' ' ASN . 14.9 t -57.65 -15.29 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.455 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -60.32 -10.83 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.023 0.439 . . . . 1.0 110.167 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 45' ' ' ILE . 2.8 mp0 -96.01 -57.17 2.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.534 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.598 HD12 ' N ' ' A' ' 49' ' ' LEU . 9.4 mp -82.58 -38.06 24.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.668 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' SER . 7.5 p30 43.87 90.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.633 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 tp -169.66 -143.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.931 -0.577 . . . . 1.0 109.706 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 t -73.64 134.75 43.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 1.0 110.395 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -74.68 -18.76 60.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.748 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.519 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 76.9 p -80.77 -25.06 38.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.474 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -74.04 -44.45 54.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.525 . . . . 1.0 111.027 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.4 p -70.75 -35.24 59.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.821 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.8 p -70.87 -32.8 69.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.84 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 54' ' ' SER . 36.9 m170 -65.63 -49.52 68.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.781 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.6 -20.97 63.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.807 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.68 -35.97 82.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.844 0.354 . . . . 1.0 110.055 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -71.13 -37.34 72.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.407 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.506 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.3 tt -50.22 -51.37 44.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.242 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.99 -19.84 65.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.255 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -69.76 -14.59 62.85 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.529 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.475 ' C ' ' H ' ' A' ' 67' ' ' HIS . 18.5 p -73.7 -52.62 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.535 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.406 HG23 ' H ' ' A' ' 68' ' ' LEU . 9.2 m -68.38 6.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.417 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.475 ' H ' ' C ' ' A' ' 65' ' ' SER . 54.6 t60 58.57 13.99 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.024 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.406 ' H ' HG23 ' A' ' 66' ' ' VAL . 6.7 tp -74.52 -11.81 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 1.0 110.421 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 70' ' ' LYS . 47.0 t -138.61 158.23 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.28 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.48 ' N ' HG12 ' A' ' 69' ' ' VAL . 52.6 tttp -143.96 135.33 25.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.16 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.89 143.99 31.77 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.74 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -127.56 143.82 51.13 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.146 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -90.22 124.87 35.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.6 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.42 ' O ' ' OE1' ' A' ' 74' ' ' GLN . 11.0 tm0? -148.69 89.18 1.67 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.266 -0.425 . . . . 1.0 109.86 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.61 176.45 42.68 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.319 -1.112 . . . . 1.0 110.319 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -49.62 -19.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 1.0 110.446 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 m -91.13 134.39 34.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.749 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.526 ' O ' ' CE2' ' A' ' 80' ' ' TYR . 24.9 mtt -95.66 96.09 8.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.318 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.4 mt -80.19 149.95 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.561 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.526 ' CE2' ' O ' ' A' ' 78' ' ' MET . 55.4 m-85 -130.55 149.54 52.16 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.07 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 82' ' ' LEU . 92.0 p -159.22 -172.17 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 1.0 110.705 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 81' ' ' SER . 14.5 mt -59.74 -145.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.543 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 40.4 p30 -173.52 -18.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.863 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 83' ' ' ASP . 6.9 m-20 -160.96 149.91 16.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.888 0.375 . . . . 1.0 110.522 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 12.5 pt -81.57 63.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.655 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 37.5 m80 -149.35 -25.73 0.28 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.636 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.532 HG23 ' N ' ' A' ' 88' ' ' ALA . 34.8 m -70.39 -44.85 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.817 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.532 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -61.53 -52.39 64.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.752 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 93' ' ' GLN . 11.2 p -54.99 -43.85 73.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.83 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 9.9 ttt -46.43 -47.91 18.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.015 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.3 mt -66.05 -53.66 35.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.832 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -70.68 -16.26 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.124 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 89' ' ' THR . 41.0 tt0 -83.14 -32.2 26.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.92 0.391 . . . . 1.0 110.623 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.41 -55.67 7.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.692 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.0 tt -58.22 -25.79 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.692 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -67.31 -31.61 72.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.843 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -72.45 -60.25 2.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.775 -0.37 . . . . 1.0 110.692 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.33 -77.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.852 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.001 -178.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.865 0.364 . . . . 1.0 110.791 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -72.97 -34.49 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.775 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -55.65 -67.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.766 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.479 ' N ' HD12 ' B' ' 13' ' ' LEU . 8.3 mp -45.38 -35.09 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.439 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.17 -46.69 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.039 0.447 . . . . 1.0 110.636 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 51.5 ttm-85 -64.15 -30.83 71.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.859 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 83.5 t -67.33 -63.11 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.425 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -48.65 -36.1 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.53 -0.468 . . . . 1.0 110.666 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -59.47 -24.15 63.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.792 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 84.2 mt -62.89 -56.95 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.727 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -53.51 -54.03 42.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.671 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -45.1 -37.79 4.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.936 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.56 -31.51 68.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.666 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.584 HD12 ' N ' ' B' ' 23' ' ' LEU . 7.1 mp -92.23 -17.85 24.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 1.0 109.959 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.11 75.29 0.01 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.18 -0.768 . . . . 1.0 111.18 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' B' ' 23' ' ' LEU . 11.2 m-20 -167.08 164.45 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -88.18 -71.57 0.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.919 0.39 . . . . 1.0 111.968 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.456 HD21 HD22 ' B' ' 49' ' ' LEU . 13.7 t30 -66.39 -22.02 66.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 1.0 112.419 -173.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -73.3 -33.19 65.06 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.557 -0.457 . . . . 1.0 110.985 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' B' ' 25' ' ' ASP . 82.6 mt -71.22 -33.72 51.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.964 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -64.82 -29.93 70.91 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.699 -0.4 . . . . 1.0 110.582 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 89.1 mt -74.78 -53.5 16.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.596 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 54.2 mtt -47.49 -42.31 22.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.665 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -55.66 -56.42 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.692 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.522 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -66.2 -38.44 87.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.103 0.477 . . . . 1.0 110.398 -179.043 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.434 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -59.08 -62.47 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.637 -178.737 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -48.91 -64.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.753 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 22.8 m -50.89 -22.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 1.0 112.012 -175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 24.4 t -166.22 112.55 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.26 -0.576 . . . . 1.0 111.693 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.56 147.83 40.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.444 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.72 178.23 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.568 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.1 t -96.63 157.51 15.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.136 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 88.8 t -51.07 -50.18 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.805 0.336 . . . . 1.0 110.642 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.07 -43.45 95.15 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.419 -0.673 . . . . 1.0 111.419 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -67.0 -32.43 73.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 1.0 110.883 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 94.5 mt -70.13 -23.38 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.144 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.524 ' O ' ' N ' ' B' ' 50' ' ' ASN . 27.4 t -48.19 -48.14 34.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 1.0 110.504 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -51.25 -19.33 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.927 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -90.74 -22.23 21.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.623 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.456 HD22 HD21 ' B' ' 27' ' ' ASN . 10.7 tp -160.02 55.8 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.204 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 46' ' ' SER . 3.1 m120 -43.27 106.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.317 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.461 ' C ' HD23 ' B' ' 51' ' ' LEU . 2.0 tt -168.38 108.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.361 178.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.437 ' C ' ' O ' ' B' ' 51' ' ' LEU . 4.6 m 5.14 111.74 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.72 1.262 . . . . 1.0 113.981 -178.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.592 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 20.2 mp0 -44.48 -41.98 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.937 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 34.1 t -44.34 -38.97 4.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 1.0 110.908 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -70.02 -42.19 73.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 57.0 t -71.93 -38.3 64.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.033 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -57.92 -31.95 67.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.495 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -78.08 -52.07 9.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.246 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -55.79 -53.27 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.728 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 tp -52.43 -35.24 51.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 1.0 110.836 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -57.83 -27.71 63.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.694 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 27.4 tp -81.89 -45.12 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.694 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.522 HD12 ' N ' ' B' ' 63' ' ' LEU . 10.4 mp -61.55 -37.43 83.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.663 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -75.35 -18.8 59.9 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.336 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.464 ' C ' ' H ' ' B' ' 67' ' ' HIS . 8.1 t -65.81 -54.21 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.566 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.53 ' O ' HG22 ' B' ' 66' ' ' VAL . 4.0 p -63.1 -0.49 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.208 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' B' ' 65' ' ' SER . 6.7 t-160 71.48 13.7 6.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.668 -0.697 . . . . 1.0 111.287 177.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.426 ' H ' HG13 ' B' ' 66' ' ' VAL . 39.3 tp -65.52 -14.49 61.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.122 0.486 . . . . 1.0 109.945 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.46 HG12 ' N ' ' B' ' 70' ' ' LYS . 21.9 t -134.41 160.12 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.866 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.46 ' N ' HG12 ' B' ' 69' ' ' VAL . 86.5 tttt -140.63 120.95 13.97 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.872 0.367 . . . . 1.0 110.551 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.75 162.06 13.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.027 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -144.69 159.53 42.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.377 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -80.78 99.83 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.704 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -121.0 106.34 11.5 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.877 -0.416 . . . . 1.0 109.877 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 66.15 -166.82 36.59 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.195 -1.162 . . . . 1.0 110.195 -177.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -80.02 29.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.786 0.327 . . . . 1.0 110.361 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . 0.415 ' H ' ' C ' ' B' ' 75' ' ' GLY . 19.6 m -139.55 152.92 47.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.071 0.462 . . . . 1.0 110.792 -178.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 7.7 ttt -94.67 120.56 35.09 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.442 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 18.7 tt -109.12 138.97 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.326 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -107.44 135.77 48.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.529 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.4 t -161.82 -166.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.366 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.516 ' C ' HD12 ' B' ' 82' ' ' LEU . 0.8 OUTLIER -174.04 177.03 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.514 179.448 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.455 ' O ' ' CB ' ' B' ' 84' ' ' ASP . 8.7 m-20 -66.26 -83.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.289 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' B' ' 83' ' ' ASP . 0.6 OUTLIER 97.09 -165.66 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 O-C-N 124.476 1.11 . . . . 1.0 110.429 -179.533 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.428 HD13 HG21 ' B' ' 85' ' ' ILE . 1.0 OUTLIER 81.52 -38.95 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 109.268 -0.641 . . . . 1.0 109.268 -177.72 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -92.18 -88.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.317 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.502 HG23 ' N ' ' B' ' 88' ' ' ALA . 34.6 m -46.4 -42.57 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.092 -178.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.502 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -44.43 -40.0 5.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 1.0 110.828 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 68.2 p -68.15 -36.72 80.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.423 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . 0.428 ' N ' ' O ' ' B' ' 87' ' ' VAL . 34.4 ttp -47.14 -35.15 6.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.394 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.8 mt -70.48 -52.8 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.406 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.404 ' HZ2' ' HB2' ' B' ' 92' ' ' LYS . 1.0 OUTLIER -63.68 -56.12 18.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.979 -179.739 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -43.05 -30.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.189 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.1 -62.71 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.886 -0.326 . . . . 1.0 110.45 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.44 -20.73 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.409 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . 0.428 ' HD1' ' C ' ' B' ' 96' ' ' HIS . 1.2 t-80 -68.87 -54.42 15.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.763 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -67.34 -10.35 50.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.46 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.45 -35.36 25.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.528 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.283 -179.69 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.823 0.344 . . . . 1.0 110.676 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -70.68 -59.01 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.554 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.2 m -62.17 -28.47 69.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.6 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.45 HD13 ' C ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -53.08 -67.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.376 -179.585 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.36 -19.82 65.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.408 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -58.3 -33.07 69.06 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.639 -0.424 . . . . 1.0 110.492 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.41 -38.8 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.728 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.0 p -68.87 -38.82 79.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.552 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -56.51 -23.73 41.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.704 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.4 mt -71.0 -42.41 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.756 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -70.67 -57.78 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.899 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -49.3 -41.47 38.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.702 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.22 -27.31 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.619 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 24' ' ' GLY . 35.5 mt -71.56 -76.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.23 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . 56.02 157.54 0.01 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.3 -0.72 . . . . 1.0 111.3 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 24' ' ' GLY . 12.3 m-20 59.14 128.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 1.0 111.011 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 27' ' ' ASN . 42.8 p90 -75.88 -29.86 58.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.489 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.479 HD21 ' CD2' ' A' ' 49' ' ' LEU . 37.7 t-20 -63.57 -40.74 97.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.621 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -65.0 -43.1 93.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.821 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.16 -20.06 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.795 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -73.59 -31.46 63.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 1.0 110.308 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.444 HD13 HE22 ' A' ' 59' ' ' GLN . 69.1 mt -66.22 -38.55 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.139 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.9 tpt -61.8 -31.57 71.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.511 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -60.13 -44.37 94.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.68 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.2 tp -59.23 -51.06 71.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.516 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 mt -46.28 -37.28 7.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.72 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -61.11 -62.52 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 1.0 110.847 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -49.72 -48.93 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.809 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 t -166.49 152.27 8.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 23.7 mp0 -53.88 168.35 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.524 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.29 132.19 8.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.67 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.4 t -76.34 171.31 14.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.531 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.599 HG13 ' N ' ' A' ' 43' ' ' GLY . 7.0 p -58.27 -56.61 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.778 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.599 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -66.28 -41.74 94.5 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.168 -0.773 . . . . 1.0 111.168 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.457 ' O ' ' ND1' ' A' ' 44' ' ' HIS . 19.4 t-80 -47.74 -29.13 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.677 0.275 . . . . 1.0 110.778 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.5 mt -75.07 -33.95 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.63 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' ASN . 8.6 t -44.16 -55.01 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 1.0 111.031 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -67.8 -22.72 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.102 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -65.85 -26.18 67.54 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.577 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD2' HD21 ' A' ' 27' ' ' ASN . 6.1 tp -164.59 48.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.742 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.471 ' CG ' ' H ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER 54.02 -141.78 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.036 178.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 51' ' ' LEU . 10.1 mp 53.79 -175.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 -177.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.3 p -128.85 -165.1 1.46 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.578 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -73.76 -38.66 64.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.861 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.3 p -48.66 -43.46 36.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.866 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -66.97 -42.52 84.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.928 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.2 t -67.7 -42.61 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.673 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.9 p -57.1 -46.08 82.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.371 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -65.99 -30.38 70.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.695 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 61' ' ' LYS . 32.7 tt0 -70.67 -69.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.567 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 54.5 mt -44.52 -16.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.902 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 59' ' ' GLN . 5.9 tppt? -74.87 -45.3 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.687 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.86 -40.72 95.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.636 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.561 HD22 ' N ' ' A' ' 63' ' ' LEU . 3.2 mm? -66.5 -35.61 80.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -49.43 -44.88 45.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.594 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 t -54.31 -51.33 65.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.533 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.6 t -75.44 -15.46 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.397 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.0 t60 59.18 26.98 15.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.769 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.529 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -67.46 -13.55 62.13 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.754 -0.462 . . . . 1.0 109.754 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.3 m -131.63 146.54 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.246 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 81' ' ' SER . 34.7 ttpt -117.77 158.16 25.26 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.315 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -162.27 151.48 15.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.565 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -147.18 128.56 14.89 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.811 -0.44 . . . . 1.0 109.811 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -61.18 152.59 28.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.229 0.538 . . . . 1.0 111.826 -175.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -149.8 83.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.206 -0.907 . . . . 1.0 109.446 178.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.19 -157.64 37.18 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.882 -1.287 . . . . 1.0 109.882 -176.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -71.28 -9.73 58.59 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.791 -0.363 . . . . 1.0 110.673 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -93.04 121.93 34.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.788 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.7 mtt -85.81 91.39 8.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.144 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.1 tp -81.1 134.86 26.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.056 0.455 . . . . 1.0 110.851 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -115.23 149.27 38.01 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.158 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 70' ' ' LYS . 51.8 p -153.87 -178.77 7.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.554 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.517 ' H ' HD23 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -89.65 175.63 7.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.154 -0.475 . . . . 1.0 109.863 179.635 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 17.6 t70 -71.45 -97.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.67 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 83' ' ' ASP . 16.4 m-20 -142.82 -135.44 0.1 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.408 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.518 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 24.3 mt -88.89 85.03 2.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.725 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 41.9 m80 -160.3 -40.0 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.504 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.0 m -83.32 -29.89 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.535 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.76 -58.53 7.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.686 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.47 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 2.8 t -61.05 -29.35 69.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.636 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.3 tpp -49.07 -65.55 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.744 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 91' ' ' LEU . 10.2 mp -53.34 -39.63 64.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.488 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -66.25 -71.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.745 -0.382 . . . . 1.0 110.868 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.623 HE22 ' NE2' ' B' ' 93' ' ' GLN . 34.5 mt-30 -42.18 -26.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.43 -178.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.07 -64.09 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.111 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.5 tt -69.1 -9.89 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.872 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -68.63 -49.79 56.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.292 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -79.64 -8.89 59.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.775 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.68 -13.85 61.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.874 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 31.0 p30 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.564 -179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 41.1 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.875 0.369 . . . . 1.0 110.628 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -75.74 -45.89 34.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.487 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 85.0 m -68.35 -54.84 14.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.479 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.516 ' O ' HD13 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -45.7 -29.51 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.222 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.419 ' O ' ' OG1' ' B' ' 17' ' ' THR . 30.8 tt0 -65.39 -45.14 85.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.41 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -70.45 -38.67 74.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.181 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.409 ' O ' HG12 ' B' ' 16' ' ' VAL . 40.6 t -64.08 -14.31 15.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.498 -177.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 37.0 p -91.21 -34.14 15.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 1.0 110.669 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -72.5 -25.64 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 1.0 111.253 -178.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.546 HG23 ' N ' ' B' ' 20' ' ' PHE . 18.7 tt -57.19 -45.32 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.815 -0.354 . . . . 1.0 110.745 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.546 ' N ' HG23 ' B' ' 19' ' ' ILE . 89.0 m-85 -71.85 -54.61 9.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.983 -178.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -47.21 -30.85 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.529 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.429 ' O ' ' NH1' ' B' ' 28' ' ' ARG . . . -51.72 -30.36 22.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.741 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.591 HD12 ' N ' ' B' ' 23' ' ' LEU . 7.0 mp -75.9 -65.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.163 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.33 -96.47 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.51 148.99 8.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.334 . . . . 1.0 110.852 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -83.0 -24.28 32.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.64 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.455 HD22 ' C ' ' B' ' 27' ' ' ASN . 0.4 OUTLIER -56.62 -34.37 67.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.8 -179.55 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' B' ' 22' ' ' ALA . 85.0 mtt180 -69.89 -27.7 65.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.575 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.4 mt -74.42 -31.91 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.879 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -64.85 -30.8 71.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 1.0 110.721 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.13 -47.25 79.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 15.5 ttt -48.89 -40.95 31.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.705 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.29 -46.32 80.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.612 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.35 -46.09 69.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.448 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 31.0 mt -76.58 -5.28 47.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.969 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.1 p -84.91 -49.78 8.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.75 0.309 . . . . 1.0 110.631 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.02 -32.52 54.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.83 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.6 m -170.8 159.16 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.683 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -69.47 168.28 14.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.258 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.42 136.42 11.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.772 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.7 t -77.95 -159.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.641 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.587 ' O ' HG22 ' B' ' 45' ' ' ILE . 76.1 t -77.03 -64.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.566 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.01 -40.44 88.69 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.162 -0.542 . . . . 1.0 112.025 -176.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -45.69 -23.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.714 -0.286 . . . . 1.0 111.548 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.587 HG22 ' O ' ' B' ' 42' ' ' VAL . 8.7 tt -72.51 -29.93 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 1.0 110.664 -178.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.514 ' O ' ' N ' ' B' ' 50' ' ' ASN . 53.3 p -45.98 -48.55 16.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.592 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -51.07 -27.06 7.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.535 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -96.31 -58.51 2.05 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.384 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.449 ' N ' HD12 ' B' ' 49' ' ' LEU . 10.1 mp -106.89 54.2 0.68 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.151 -0.477 . . . . 1.0 109.735 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' B' ' 46' ' ' SER . 4.4 t-20 -41.35 107.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 1.0 111.285 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 tp -170.4 -154.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.949 -0.569 . . . . 1.0 109.502 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -75.24 132.48 41.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 1.0 110.362 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -69.52 -17.28 63.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.62 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 12.6 t -81.26 -24.97 36.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.632 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.475 HD22 ' N ' ' B' ' 55' ' ' ASN . 1.3 m120 -67.16 -43.2 82.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.656 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 t -71.75 -36.42 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.615 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 45.8 p -61.45 -34.7 75.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.363 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.12 -40.79 51.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.572 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -69.92 -46.74 64.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.575 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 tp -52.78 -33.8 50.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.558 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -69.24 -36.33 77.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.28 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.469 ' O ' HD23 ' B' ' 62' ' ' LEU . 1.8 tt -60.04 -55.26 36.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 1.0 109.916 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.3 mt -51.43 -22.32 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.065 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.423 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 16.7 tptm -71.41 -28.48 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.754 -0.379 . . . . 1.0 110.408 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.8 m -48.21 -58.72 4.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.344 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -72.59 -5.63 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.16 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' B' ' 64' ' ' LYS . 28.5 m-70 60.54 21.76 11.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.368 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tp -54.38 -13.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.548 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 m -143.82 169.42 10.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.074 0.464 . . . . 1.0 110.669 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -127.93 175.25 8.51 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.747 -0.66 . . . . 1.0 109.802 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.02 134.32 26.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.536 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -128.32 143.5 51.02 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.163 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 55.6 ttp85 -93.02 146.21 23.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.751 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -151.66 93.11 1.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.266 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.3 -113.66 3.68 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.573 -1.011 . . . . 1.0 110.573 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -113.88 -27.31 7.8 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.845 0.355 . . . . 1.0 110.251 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -84.87 143.14 29.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.661 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.51 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -94.26 120.73 34.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.367 179.12 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.6 mm -100.11 149.51 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.408 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -137.57 154.02 49.86 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.401 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.7 t -159.56 -172.69 3.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.807 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -68.09 -160.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.006 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -171.68 122.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.666 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 t0 75.96 133.31 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.459 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 11.5 pt -85.02 66.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.385 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' B' ' 85' ' ' ILE . 34.2 m80 -151.63 -33.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.236 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.546 HG23 ' N ' ' B' ' 88' ' ' ALA . 10.1 m -67.5 -45.17 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.664 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.546 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -57.11 -39.54 75.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.962 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 73.9 p -66.46 -46.99 74.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.932 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 40.4 ttm -44.58 -47.41 10.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.949 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.06 -47.53 85.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.682 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -68.93 -65.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.798 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.623 ' NE2' HE22 ' A' ' 93' ' ' GLN . 24.8 mt-30 -41.59 -30.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.297 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.67 -67.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.72 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 pt -65.69 -9.35 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.43 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -71.15 -31.83 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.016 0.436 . . . . 1.0 109.917 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . 0.506 ' C ' ' H ' ' B' ' 99' ' ' ASN . 24.3 t60 -67.89 -53.59 25.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.908 -0.587 . . . . 1.0 109.944 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.04 23.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.095 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.506 ' H ' ' C ' ' B' ' 97' ' ' HIS . 10.3 t-20 . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 120.87 0.367 . . . . 1.0 110.485 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.783 0.325 . . . . 1.0 110.719 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -64.03 -43.98 93.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.502 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 14' ' ' GLU . 61.5 p -66.67 -61.21 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.587 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.7 tp -40.56 -21.37 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.004 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 12' ' ' THR . 31.5 tt0 -76.12 -54.91 6.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.73 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -64.12 -9.9 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.846 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.76 -28.69 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.741 -0.384 . . . . 1.0 111.086 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -86.86 -29.13 22.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.727 0.299 . . . . 1.0 110.736 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -71.22 -32.63 69.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.38 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 pt -64.03 -32.44 57.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.875 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' LEU . 60.8 m-85 -77.21 -53.68 7.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 1.0 110.528 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -47.94 -25.13 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.382 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.05 -34.34 29.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.432 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 24' ' ' GLY . 38.8 tp -65.77 -26.49 67.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.187 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -55.35 -122.65 0.01 OUTLIER Glycine 0 CA--C 1.526 0.777 0 CA-C-N 115.854 -0.612 . . . . 1.0 111.603 -177.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' GLY . 3.3 m-20 46.94 93.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.36 . . . . 1.0 110.292 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -50.33 -20.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.8 -178.083 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.409 HD22 ' N ' ' A' ' 27' ' ' ASN . 1.7 m-80 -78.38 -39.49 39.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.835 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -77.29 -44.53 29.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.336 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.535 HG23 ' N ' ' A' ' 30' ' ' ARG . 20.4 tt -52.89 -44.87 50.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.812 -0.355 . . . . 1.0 111.251 -176.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.535 ' N ' HG23 ' A' ' 29' ' ' ILE . 1.7 tmm_? -72.1 -32.64 67.19 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.513 -0.475 . . . . 1.0 110.749 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.5 mt -69.09 -28.79 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.9 tpt -62.14 -31.71 72.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.301 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.34 -36.65 84.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.41 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 tp -64.81 -60.91 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.366 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.3 mt -43.09 -39.25 2.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.94 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -54.16 -53.2 56.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 1.0 110.5 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.0 t -54.6 -45.93 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.384 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.6 p -173.97 137.42 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.475 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -44.69 161.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.847 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.89 136.41 12.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.432 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.1 m -75.68 173.23 11.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.544 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.96 -53.34 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.944 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.07 -36.92 93.07 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.349 -0.701 . . . . 1.0 111.349 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -64.44 -25.65 68.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 1.0 110.849 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 91.0 mt -81.3 -26.85 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.948 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 50' ' ' ASN . 37.9 t -56.91 -11.08 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.885 -0.326 . . . . 1.0 111.217 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -89.57 -11.47 42.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 1.0 110.333 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.526 ' O ' ' NH2' ' A' ' 30' ' ' ARG . 32.3 mm-40 -74.68 -55.55 5.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.973 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 49' ' ' LEU . 1.2 tt -161.17 -34.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 1.0 110.574 -176.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 46' ' ' SER . 6.1 m120 -81.13 141.18 34.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.982 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 51' ' ' LEU . 2.9 mm? -94.13 -60.48 1.73 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 1.0 109.961 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 t -74.09 139.89 44.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.871 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -82.23 -36.95 26.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.468 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.3 t -56.41 -30.98 63.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.479 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -66.96 -42.76 84.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.383 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 t -71.67 -38.65 67.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.577 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.2 m -63.64 -37.18 86.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.671 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -76.03 -46.4 29.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.651 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -67.93 -46.85 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.832 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 tp -55.67 -32.97 63.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.481 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -69.28 -30.93 69.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.819 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.2 tp -68.79 -33.89 74.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.246 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.1 mt -76.04 -25.46 55.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.34 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -52.72 -37.09 58.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.28 -0.418 . . . . 1.0 109.959 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 67' ' ' HIS . 69.5 m -54.22 -52.62 60.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.142 178.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.526 ' O ' ' CG ' ' A' ' 67' ' ' HIS . 2.8 t -68.13 4.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.225 0.536 . . . . 1.0 109.698 177.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 66' ' ' VAL . 20.0 p80 41.89 27.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.515 -0.766 . . . . 1.0 111.513 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -57.12 -16.97 8.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.086 0.47 . . . . 1.0 109.859 179.566 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -147.99 178.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.345 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -151.03 129.27 11.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.452 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.54 158.89 15.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.222 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -143.11 156.85 44.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.358 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -89.42 141.17 28.8 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.177 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -152.96 122.88 6.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.898 0.38 . . . . 1.0 110.314 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.77 -136.65 44.1 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.757 -0.937 . . . . 1.0 110.757 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.447 ' N ' ' CD ' ' A' ' 76' ' ' GLN . 3.4 mp0 -99.88 19.71 15.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.729 0.3 . . . . 1.0 110.737 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.7 p -147.6 170.64 17.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.045 0.45 . . . . 1.0 110.901 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.6 mtt -118.83 149.68 41.12 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.76 -0.654 . . . . 1.0 110.102 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.7 pt -137.73 161.56 33.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.875 0.369 . . . . 1.0 110.372 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 21.2 m-85 -125.59 158.09 35.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.488 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.0 m -158.31 -174.56 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.27 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 84' ' ' ASP . 3.2 pp -95.7 161.31 14.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.141 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 33.6 t70 -58.65 -120.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.428 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.449 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 12.0 m-20 -85.22 -139.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.327 . . . . 1.0 110.347 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.0 mt -108.21 -21.32 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.046 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -49.53 -35.45 20.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.736 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 88' ' ' ALA . 30.7 m -65.73 -47.23 86.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.401 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.524 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -55.57 -23.19 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.383 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.3 m -78.49 -33.84 47.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.552 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 mmt -59.92 -31.23 69.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.477 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.76 -52.27 15.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.462 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.87 -62.8 1.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.596 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -41.9 -34.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.391 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.95 -64.44 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 1.0 110.884 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.5 pt -65.66 -7.27 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.581 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -77.39 -45.46 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.44 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 97' ' ' HIS . 23.0 t60 -78.52 -14.7 59.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.343 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.25 -5.16 53.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.645 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 58.4 t30 . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 120.978 0.418 . . . . 1.0 110.922 -179.787 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.82 0.343 . . . . 1.0 110.671 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -64.73 -64.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.819 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.508 HG23 ' N ' ' B' ' 13' ' ' LEU . 11.1 t -72.53 -44.64 61.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.87 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.508 ' N ' HG23 ' B' ' 12' ' ' THR . 3.7 mm? -45.47 -25.14 0.39 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.993 -0.373 . . . . 1.0 109.993 178.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.432 ' OE2' ' NH1' ' B' ' 15' ' ' ARG . 31.2 tt0 -75.24 -55.25 5.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.667 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.442 ' CD ' ' N ' ' B' ' 15' ' ' ARG . 10.3 mpt_? -60.61 -40.03 90.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.816 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -51.78 -17.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.027 -0.269 . . . . 1.0 111.194 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 52.4 p -91.29 -34.63 14.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.695 0.283 . . . . 1.0 110.881 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -74.61 -19.25 60.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.654 -176.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 pt -75.7 -30.16 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.948 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -77.93 -55.35 5.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 1.0 110.465 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -47.74 -32.15 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.951 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.48 -25.06 68.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 1.0 110.649 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.0 mt -93.35 9.44 36.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.126 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.02 -79.79 0.07 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.345 -0.702 . . . . 1.0 111.345 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.69 132.92 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 1.0 111.275 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -74.01 -29.38 61.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.808 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -42.72 76.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.551 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.539 HH12 ' CG ' ' B' ' 59' ' ' GLN . 92.8 mtt-85 -65.55 -35.89 82.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.006 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.95 -27.03 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.08 -177.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -73.13 -35.66 66.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.903 0.382 . . . . 1.0 110.253 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 75.5 mt -66.22 -49.88 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.593 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 11.4 mmt -54.04 -29.58 44.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.593 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.3 -47.59 76.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.355 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 32.0 tp -50.49 -36.5 34.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.052 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 22.4 mt -63.39 -37.85 88.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.822 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -56.84 -32.13 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.713 0.292 . . . . 1.0 110.892 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 20.2 t -76.2 -48.31 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.818 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -179.91 146.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.574 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.605 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 5.0 mp0 -49.63 159.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.529 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.73 146.15 24.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.429 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 33.8 t -79.53 162.88 25.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.548 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 44.1 t -52.03 -53.05 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.51 -28.35 73.51 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.405 -0.678 . . . . 1.0 111.405 -178.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -71.55 -37.69 71.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 1.0 110.945 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.41 HG22 ' O ' ' B' ' 45' ' ' ILE . 95.7 mt -68.28 -15.42 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.502 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -61.48 -33.54 73.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.788 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -60.13 -11.62 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.546 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -89.06 -57.52 2.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.887 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -82.89 -29.48 29.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.842 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 11.3 m120 59.52 87.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.387 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 tp -174.11 -146.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 67.6 m -80.85 136.56 36.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 1.0 110.336 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -61.53 -37.82 85.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.716 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 62.8 m -62.6 -16.63 57.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.721 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -64.57 -44.29 91.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.757 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 95.9 t -77.13 -34.65 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.816 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.3 p -60.21 -42.69 95.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.46 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -71.97 -39.65 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.728 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.539 ' CG ' HH12 ' B' ' 28' ' ' ARG . 12.4 tt0 -75.1 -27.46 59.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 1.0 111.051 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.39 -36.44 82.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.056 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -77.17 -34.24 56.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.637 -177.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.33 -33.46 71.15 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.409 -0.517 . . . . 1.0 110.37 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 36.0 mt -75.59 -19.88 58.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 1.0 110.114 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -69.06 -12.29 61.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.402 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.454 ' C ' ' H ' ' B' ' 67' ' ' HIS . 75.0 m -77.14 -46.74 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.118 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.431 ' H ' HG22 ' B' ' 66' ' ' VAL . 5.3 m -72.38 15.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.85 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.454 ' H ' ' C ' ' B' ' 65' ' ' SER . 4.4 m-70 72.19 9.79 5.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 1.0 112.114 176.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.579 ' O ' HG22 ' B' ' 69' ' ' VAL . 9.7 mp -100.95 160.16 14.6 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 108.747 -0.834 . . . . 1.0 108.747 174.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.579 HG22 ' O ' ' B' ' 68' ' ' LEU . 15.3 m 55.89 140.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 O-C-N 123.82 0.7 . . . . 1.0 111.802 -175.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -156.83 139.47 15.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.549 -0.75 . . . . 1.0 109.481 -178.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.91 158.37 16.33 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.152 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -136.79 155.61 49.59 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.445 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -91.3 117.47 29.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.492 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -140.18 100.55 3.93 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.221 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 54.48 58.55 12.69 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.149 -0.781 . . . . 1.0 111.149 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 52.79 9.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.689 0.281 . . . . 1.0 110.941 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . 0.462 ' H ' ' C ' ' B' ' 75' ' ' GLY . 4.9 m -118.47 120.0 36.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.275 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.577 ' N ' ' SD ' ' B' ' 78' ' ' MET . 2.0 mpt? -83.4 120.01 25.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.024 -179.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 21.5 mm -103.99 127.86 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.111 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' B' ' 81' ' ' SER . 2.5 t80 -105.64 141.1 37.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.999 0.428 . . . . 1.0 110.031 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.544 ' N ' ' CD1' ' B' ' 80' ' ' TYR . 16.3 p -159.8 -172.06 3.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.216 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 16.0 mt -57.71 -161.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.579 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -122.98 -31.38 3.64 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.249 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.418 ' CG ' ' H ' ' B' ' 85' ' ' ILE . 33.2 t0 -172.81 178.79 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.407 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.418 ' H ' ' CG ' ' B' ' 84' ' ' ASP . 15.5 tt -67.99 -16.07 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.677 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -67.93 -30.29 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.844 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 63.3 t -80.79 -37.75 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.036 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.07 94.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.97 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.419 ' O ' ' N ' ' B' ' 93' ' ' GLN . 72.5 p -73.62 -46.84 44.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.941 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 23.6 ttt -45.15 -43.15 9.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.963 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 28.4 tp -67.21 -41.62 85.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.998 0.428 . . . . 1.0 110.371 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -79.26 -15.39 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.061 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 89' ' ' THR . 7.6 tt0 -84.25 -31.59 24.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.802 0.334 . . . . 1.0 110.382 179.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.75 -49.78 49.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.452 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 6.9 mm -61.9 -19.33 21.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.078 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -68.97 -51.89 34.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.264 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -72.2 -13.88 61.65 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.824 -0.35 . . . . 1.0 110.908 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.36 -40.81 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.263 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.9 t30 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.766 -179.899 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.8 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.766 0.317 . . . . 1.0 110.559 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.67 -46.22 59.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.736 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -62.81 -60.76 3.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.475 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.8 tp -47.36 -23.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.48 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -84.01 -50.97 7.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.619 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.489 HH21 ' CE1' ' A' ' 67' ' ' HIS . 64.6 ttt180 -49.79 -55.93 12.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.924 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 17' ' ' THR . 31.1 m -44.0 -40.53 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.194 -178.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.422 ' N ' HG23 ' A' ' 16' ' ' VAL . 28.5 m -55.95 -42.54 76.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.322 . . . . 1.0 110.746 -179.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.21 -18.9 65.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.878 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.4 mt -85.14 -32.18 7.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.987 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -79.05 -13.05 60.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.125 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -92.62 -30.52 15.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.718 0.294 . . . . 1.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.11 -8.98 13.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.909 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 24' ' ' GLY . 15.7 mt -80.42 -11.92 59.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.838 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -55.72 -162.78 0.02 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 57.68 92.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.907 0.384 . . . . 1.0 110.922 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.431 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 45.3 p90 -52.68 -39.71 62.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' N ' ' CD2' ' A' ' 26' ' ' TYR . 8.4 p30 -58.86 -36.7 75.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.018 -178.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -65.66 -30.92 71.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.6 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.19 -31.78 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.789 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.409 ' NH2' ' CD2' ' A' ' 49' ' ' LEU . 56.1 mtm180 -64.53 -33.21 75.38 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.883 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 31' ' ' ILE . 1.6 mp -79.53 -20.7 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.825 -0.435 . . . . 1.0 109.825 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.3 ttt -71.08 -39.9 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.641 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.99 -24.93 58.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.45 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.2 tp -71.96 -60.22 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.438 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -54.46 -19.77 6.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.754 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -68.15 -50.48 54.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.943 0.401 . . . . 1.0 110.55 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.35 -40.62 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.748 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.5 m -172.79 148.95 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.793 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -56.48 165.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.174 178.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.41 150.4 23.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 1.0 110.962 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.514 ' H ' ' CD2' ' A' ' 44' ' ' HIS . 61.7 m -93.07 156.78 16.66 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.868 177.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -45.92 -50.38 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.864 0.364 . . . . 1.0 111.199 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.95 -27.01 59.04 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 116.183 -0.462 . . . . 1.0 112.059 -176.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.514 ' CD2' ' H ' ' A' ' 41' ' ' SER . 3.7 m-70 -70.28 -29.0 65.66 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.787 -0.365 . . . . 1.0 111.309 -177.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.676 HD12 ' N ' ' A' ' 45' ' ' ILE . 1.9 mp -66.06 -31.53 54.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.319 -178.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 50' ' ' ASN . 91.1 p -47.46 -38.0 12.82 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.863 -0.335 . . . . 1.0 111.073 -178.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -60.06 -21.26 61.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.834 0.349 . . . . 1.0 110.851 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.463 ' N ' ' CD ' ' A' ' 48' ' ' GLN . 2.8 mp0 -95.74 -57.13 2.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.359 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.409 ' CD2' ' NH2' ' A' ' 30' ' ' ARG . 13.9 mt -88.5 -46.69 8.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.587 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 46' ' ' SER . 17.3 t30 63.86 23.56 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.682 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.2 mt -99.4 -153.74 0.45 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.269 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.0 m -73.89 132.92 42.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -65.38 -35.98 82.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.627 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -57.81 -22.36 47.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.595 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -68.06 -41.55 81.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.498 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.57 -40.43 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.615 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 m -60.63 -57.78 11.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.427 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -54.13 -41.4 68.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.536 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -67.87 -54.58 17.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.7 tp -57.27 -30.4 64.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.335 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -59.87 -34.77 73.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.255 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.458 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.9 tt -64.88 -57.37 9.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.072 179.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.0 mt -53.61 -40.22 65.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.523 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -53.19 -31.99 45.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.46 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.435 ' C ' ' H ' ' A' ' 67' ' ' HIS . 15.9 t -74.57 -37.06 63.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.427 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.531 ' O ' ' CG ' ' A' ' 67' ' ' HIS . 2.5 t -77.03 15.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.48 . . . . 1.0 110.128 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 66' ' ' VAL . 14.0 p-80 42.84 15.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.68 -0.691 . . . . 1.0 111.65 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -71.08 -12.71 61.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.087 0.47 . . . . 1.0 109.832 -179.62 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.8 m -140.41 161.52 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.715 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -144.97 156.27 43.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.02 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -147.39 175.36 10.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.832 0.349 . . . . 1.0 110.345 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -142.01 155.36 45.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.319 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -87.79 129.93 35.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.62 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 77' ' ' SER . 63.0 mt-30 -147.09 137.81 23.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.154 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 76' ' ' GLN . . . -48.54 141.2 9.69 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.61 -0.996 . . . . 1.0 110.61 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 8.6 tt0 95.71 -54.83 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.5 0.72 . . . . 1.0 110.713 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 74' ' ' GLN . 53.3 m -162.4 -179.07 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.173 0.511 . . . . 1.0 111.476 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.502 ' O ' ' CE1' ' A' ' 80' ' ' TYR . 8.8 ttt -108.54 111.41 23.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.159 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.4 mm -81.47 133.7 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.084 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.502 ' CE1' ' O ' ' A' ' 78' ' ' MET . 48.6 m-85 -110.88 143.19 41.88 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.002 -0.545 . . . . 1.0 109.901 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.516 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 26.5 t -157.33 -173.83 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.869 0.366 . . . . 1.0 110.81 -179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.516 ' N ' ' OG ' ' A' ' 81' ' ' SER . 34.0 mt -75.18 170.42 16.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.63 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -78.76 -55.36 5.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.347 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.527 ' OD2' ' ND1' ' A' ' 86' ' ' HIS . 6.3 p-10 -158.25 -71.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.544 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.475 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 19.4 tt -167.81 -27.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.966 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.527 ' ND1' ' OD2' ' A' ' 84' ' ' ASP . 35.4 m170 -49.84 -28.37 6.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.85 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 88' ' ' ALA . 33.0 m -75.17 -39.55 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.74 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -68.86 -14.93 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.772 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 m -77.5 -63.3 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.852 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.6 tpp -51.71 -33.46 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.941 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.8 tp -59.49 -59.18 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.499 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 94' ' ' ALA . 66.5 mttm -61.75 -61.28 2.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.139 -178.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -40.41 -24.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.647 -177.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -75.37 -64.55 1.04 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.883 0.373 . . . . 1.0 110.912 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.5 mm -55.77 -26.88 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.947 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -79.39 -35.92 40.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.118 -178.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -52.81 -62.1 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.618 -0.433 . . . . 1.0 110.568 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.88 -37.82 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.158 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.618 179.718 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.851 0.358 . . . . 1.0 111.024 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -78.65 -63.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.465 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 71.5 p -57.15 -18.03 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.606 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 16.6 tp -68.83 -58.34 4.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.289 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -52.96 -20.43 3.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.838 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -74.23 -35.81 63.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.991 0.424 . . . . 1.0 109.962 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.437 ' O ' HG22 ' B' ' 19' ' ' ILE . 91.9 t -65.34 -18.94 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.731 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.9 m -91.24 -29.78 17.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.691 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -77.74 -13.35 59.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.17 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.437 HG22 ' O ' ' B' ' 16' ' ' VAL . 10.5 tt -70.67 -39.74 76.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.684 -0.407 . . . . 1.0 110.347 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -75.59 -60.75 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.664 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -47.52 -37.63 12.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.974 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -22.29 62.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.754 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' B' ' 25' ' ' ASP . 6.6 tp -84.9 -6.97 59.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.261 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.93 82.31 0.01 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' B' ' 23' ' ' LEU . 26.7 t0 -171.87 101.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.734 0.302 . . . . 1.0 110.312 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -46.44 -67.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.196 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -41.36 -32.36 0.3 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.676 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -72.58 -31.3 65.12 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.893 -0.323 . . . . 1.0 111.255 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 46.4 mt -66.33 -32.24 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.878 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -73.1 -31.59 64.42 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.837 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 72.8 mt -76.33 -40.59 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.735 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 70.6 mmm -67.22 -18.09 65.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.642 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -76.07 -70.26 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.995 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 pp -52.31 -25.7 10.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.089 -178.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.502 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -74.98 -43.76 52.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.723 -0.473 . . . . 1.0 109.723 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 46.2 p -48.32 -43.07 32.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.337 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 25.3 t -54.0 -64.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.325 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 23.5 p -148.73 173.4 13.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.534 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -76.12 168.04 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.375 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.13 154.75 29.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.47 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 28.0 t -89.15 161.88 16.24 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.094 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.518 ' O ' HG22 ' B' ' 45' ' ' ILE . 77.4 t -57.63 -57.32 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.87 -0.332 . . . . 1.0 110.393 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.41 -23.64 60.51 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 120.877 -0.677 . . . . 1.0 111.784 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -75.83 -30.99 59.18 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.879 0.326 . . . . 1.0 111.879 -176.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.518 HG22 ' O ' ' B' ' 42' ' ' VAL . 7.9 tt -58.7 -18.65 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.541 -0.464 . . . . 1.0 110.067 -178.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.527 ' O ' ' N ' ' B' ' 50' ' ' ASN . 79.2 p -58.8 -41.55 87.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.537 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -51.71 -27.14 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.187 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -87.32 -51.95 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.524 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' B' ' 51' ' ' LEU . 28.0 mt -133.47 62.69 1.65 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.189 -0.46 . . . . 1.0 109.933 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 46' ' ' SER . 46.0 t30 -50.38 84.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.311 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' B' ' 49' ' ' LEU . 32.2 mt -135.86 -155.17 0.61 Allowed 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.183 -0.673 . . . . 1.0 109.183 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.8 p -63.79 127.77 32.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.787 0.327 . . . . 1.0 110.291 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.536 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 22.6 mp0 -69.51 -55.71 9.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.895 -178.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.0 p -43.49 -24.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.006 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.11 -42.69 98.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.616 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 15.3 t -75.33 -34.74 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.692 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 27.7 t -56.49 -37.97 71.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.878 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -79.61 -63.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.552 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -46.77 -39.69 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.874 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.04 -34.9 79.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.451 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -61.74 -28.85 69.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.885 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 24.2 tp -64.78 -47.41 78.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.302 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.58 HD12 ' N ' ' B' ' 63' ' ' LEU . 9.1 mp -60.28 -35.33 75.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.205 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -77.89 -10.23 59.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.537 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.4 t -66.47 -60.94 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 1.0 111.595 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 57.4 t -66.45 -72.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.679 -0.409 . . . . 1.0 111.398 -175.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' B' ' 67' ' ' HIS . 5.5 t60 -176.6 8.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.863 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.57 HD12 ' N ' ' B' ' 68' ' ' LEU . 9.5 mp -97.96 141.84 30.43 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.85 -0.426 . . . . 1.0 109.85 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.427 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 7.5 t 65.7 151.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 1.0 110.609 -177.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -149.73 175.33 11.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.767 -0.651 . . . . 1.0 109.941 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -152.07 116.82 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.023 0.44 . . . . 1.0 110.704 -179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -112.51 123.8 51.09 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.943 -0.571 . . . . 1.0 109.821 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -59.6 133.47 56.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.448 0.642 . . . . 1.0 111.416 -173.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -153.81 138.73 17.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.987 -1.006 . . . . 1.0 110.148 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.27 -141.25 41.3 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -100.6 23.23 10.66 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.584 0.23 . . . . 1.0 110.925 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 50.2 p -152.08 169.68 21.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.914 0.388 . . . . 1.0 110.957 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 60.5 mtp -103.64 103.43 13.36 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.34 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.648 HD12 ' N ' ' B' ' 79' ' ' ILE . 1.5 mp -78.4 131.28 34.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 1.0 109.862 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -106.81 140.57 39.43 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.31 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -148.8 174.47 12.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.582 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.87 179.79 2.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.94 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' B' ' 67' ' ' HIS . 1.2 m-20 -81.48 -50.32 9.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.547 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.444 ' O ' HG23 ' B' ' 85' ' ' ILE . 56.9 m-20 -158.08 -76.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.701 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.444 HG23 ' O ' ' B' ' 84' ' ' ASP . 21.2 pt -157.26 -15.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.935 -178.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -57.68 -77.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.429 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.5 m -44.83 -27.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.611 -174.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.93 -50.79 63.14 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.753 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 77.6 m -65.54 -45.04 84.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.994 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 58.4 mtt -41.35 -55.88 2.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.377 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 34.2 mt -53.2 -57.47 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.726 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.404 ' NZ ' ' CB ' ' B' ' 92' ' ' LYS . 7.3 mtmp? -67.91 -14.06 62.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.194 -178.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -83.83 -25.56 30.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.546 -0.297 . . . . 1.0 110.84 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.49 -66.28 0.68 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.12 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 12.9 pt -58.58 -19.41 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.795 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -69.93 -41.28 74.81 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.336 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -50.84 -49.7 58.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.44 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.72 -63.02 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.53 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.569 179.597 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.5 p . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.875 0.369 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.6 p30 -67.59 -23.22 65.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.68 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.7 p -58.62 -40.86 84.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.789 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -72.59 -49.54 31.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 1.0 109.978 -179.757 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -64.75 -16.67 63.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.561 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -81.71 -70.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.643 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.514 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 27.5 m -40.47 -30.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.447 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -65.63 -50.89 63.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.983 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -59.62 -25.52 64.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.147 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.3 mm -67.94 -63.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.982 -0.287 . . . . 1.0 110.971 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CE2' ' O ' ' A' ' 16' ' ' VAL . 9.1 m-85 -49.74 -58.27 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.672 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -43.13 -41.43 3.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.205 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.42 -25.54 65.97 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.623 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 20' ' ' PHE . 6.0 tp -78.9 -4.44 49.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.448 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.65 85.1 0.2 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.339 -0.704 . . . . 1.0 111.339 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 10.5 t70 -173.59 150.78 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.712 0.291 . . . . 1.0 110.315 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -88.8 -71.47 0.59 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.064 0.459 . . . . 1.0 111.208 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.609 HD22 ' N ' ' A' ' 27' ' ' ASN . 1.6 m120 -48.66 -18.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.646 -0.707 . . . . 1.0 111.44 -176.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.454 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 11.7 tpp85 -71.77 -34.07 69.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.862 0.363 . . . . 1.0 110.088 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.7 mm -67.72 -34.64 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.742 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 tpp85 -74.01 -34.52 64.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.508 -0.315 . . . . 1.0 110.82 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.6 mt -74.06 -24.53 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.517 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 tpt -81.15 -35.75 31.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.521 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -64.33 -32.42 74.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.598 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.3 tp -71.79 -63.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.543 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.1 mt -45.84 -25.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.795 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 t -65.75 -52.05 54.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.824 0.345 . . . . 1.0 110.379 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.58 -59.68 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.528 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.8 m -151.47 136.83 17.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.889 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.609 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 10.7 pm0 -75.18 156.52 35.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.859 -0.609 . . . . 1.0 109.997 178.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.31 -177.58 6.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.913 0.387 . . . . 1.0 110.783 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.2 p -87.15 150.99 23.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.389 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.538 HG13 ' N ' ' A' ' 43' ' ' GLY . 12.9 p -49.56 -44.65 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.007 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.538 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -60.44 -18.97 52.44 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.289 -0.724 . . . . 1.0 111.289 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -77.0 -20.3 56.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.785 0.326 . . . . 1.0 110.755 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.649 HD12 ' N ' ' A' ' 45' ' ' ILE . 1.5 mp -75.23 -29.5 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 1.0 109.938 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 50' ' ' ASN . 55.1 p -44.32 -47.92 9.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 1.0 111.207 -178.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.409 ' N ' ' ND1' ' A' ' 47' ' ' HIS . 2.5 m80 -51.01 -14.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.13 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -92.89 -57.27 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.565 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.38 -46.51 7.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.741 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 46' ' ' SER . 56.8 t-20 56.88 82.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.203 -178.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.47 HD23 ' C ' ' A' ' 51' ' ' LEU . 2.0 tt -151.21 -69.65 0.17 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.399 -178.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 m -157.78 127.59 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.055 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -67.35 -26.53 66.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.521 -0.308 . . . . 1.0 111.035 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -81.59 -30.41 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.89 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.35 -44.68 67.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.968 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 m -71.88 -33.39 47.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.528 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.9 m -62.99 -54.19 42.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.179 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -43.83 -39.09 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.824 -0.625 . . . . 1.0 111.014 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -59.18 -55.83 29.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.495 -0.32 . . . . 1.0 111.441 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 60' ' ' LEU . 10.1 mp -52.23 -20.06 2.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.89 -177.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -72.46 -39.96 67.37 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.524 -0.47 . . . . 1.0 110.316 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 62' ' ' LEU . 3.2 mm? -67.11 -37.66 84.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.057 -0.349 . . . . 1.0 110.057 178.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.436 HD11 ' NH1' ' A' ' 28' ' ' ARG . 13.9 mt -73.7 -30.86 63.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.668 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -75.29 -12.39 60.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.281 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.7 m -85.26 -34.74 21.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.079 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.7 t -72.32 -72.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.86 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.413 ' H ' ' H ' ' A' ' 68' ' ' LEU . 6.6 t60 -176.5 -4.93 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.242 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 63' ' ' LEU . 21.3 mt -110.11 159.12 17.61 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.74 0.305 . . . . 1.0 110.537 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 t 67.49 128.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.679 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -149.36 161.78 41.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.684 -0.689 . . . . 1.0 109.854 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -155.96 160.41 40.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.924 0.392 . . . . 1.0 110.876 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -141.56 127.89 19.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.841 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -60.66 152.04 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.268 0.556 . . . . 1.0 111.29 -175.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -152.9 108.75 3.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.397 -0.82 . . . . 1.0 110.548 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.468 ' C ' ' NE2' ' A' ' 76' ' ' GLN . . . 71.42 -105.29 1.62 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.084 -0.806 . . . . 1.0 111.084 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.468 ' NE2' ' C ' ' A' ' 75' ' ' GLY . 9.0 mp0 -126.41 18.23 7.57 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.822 0.344 . . . . 1.0 110.408 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.2 m -147.27 162.86 38.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.263 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -114.55 138.01 51.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.468 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 79' ' ' ILE . 19.6 mt -110.52 138.18 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.554 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -109.33 140.94 42.37 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.29 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 82' ' ' LEU . 87.1 p -158.25 -172.63 3.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.81 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 81' ' ' SER . 24.7 mt -59.01 -150.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.753 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -155.17 -26.46 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.837 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 9.2 t70 -164.53 158.12 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.482 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.483 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 29.6 pt -79.02 12.05 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.783 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.476 ' C ' ' H ' ' A' ' 88' ' ' ALA . 30.9 m80 -77.3 -75.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.988 0.423 . . . . 1.0 110.647 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.3 m -48.22 -10.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.539 . . . . 1.0 111.371 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' A' ' 86' ' ' HIS . . . -61.56 -62.06 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 1.0 110.737 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.0 t -66.83 -29.21 69.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.587 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.2 ttt -57.27 -40.79 78.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.461 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -61.16 -47.86 84.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.186 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -62.83 -57.35 11.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.535 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -40.67 -34.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.586 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.47 -46.79 75.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.869 0.366 . . . . 1.0 110.445 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.8 mm -70.72 -14.65 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.288 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -75.87 -58.96 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.758 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -62.29 -21.89 65.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 1.0 110.262 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.56 94.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.41 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.2 m120 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.199 179.31 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.6 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.863 0.363 . . . . 1.0 110.525 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -64.72 -35.79 82.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.495 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.7 m -71.79 -32.44 67.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.438 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.48 -20.66 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.103 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -83.25 -49.45 9.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.506 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' B' ' 18' ' ' GLU . 45.8 ttt85 -54.17 -55.4 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.259 -178.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.5 m -41.37 -28.55 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.365 -178.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.5 p -76.58 -41.14 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.663 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' B' ' 15' ' ' ARG . 29.8 mt-10 -62.18 -22.08 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.987 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 16.1 mt -67.72 -69.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.677 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -43.73 -60.54 1.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.269 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -43.54 -36.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.404 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.93 -25.18 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.506 -0.315 . . . . 1.0 111.428 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.584 HD12 ' N ' ' B' ' 23' ' ' LEU . 9.4 mp -78.47 0.75 24.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.086 -0.246 . . . . 1.0 110.668 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' B' ' 25' ' ' ASP . . . -64.71 -162.27 0.64 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' B' ' 24' ' ' GLY . 1.6 m-20 54.23 107.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 1.0 110.669 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -57.39 -18.73 19.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.868 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -82.13 -42.37 19.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.281 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -72.59 -34.21 67.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.294 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 tt -73.01 -32.36 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.287 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -67.6 -30.23 69.77 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.647 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -70.33 -51.23 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.433 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 31.5 ttm -46.54 -36.56 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.661 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -73.15 -30.53 63.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.997 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 25.4 tp -73.09 -44.95 59.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.528 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.556 ' N ' HD12 ' B' ' 35' ' ' LEU . 9.9 mp -74.17 -18.53 60.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.128 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -63.81 -54.96 26.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.638 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.98 -37.3 79.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.736 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 55.5 m -165.53 130.62 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.8 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.619 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 1.4 pm0 -66.97 155.0 39.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.705 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.5 168.47 27.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.706 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 28.3 p -85.35 156.51 20.86 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.697 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.483 HG23 ' N ' ' B' ' 43' ' ' GLY . 35.3 m -48.17 -43.12 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.348 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.483 ' N ' HG23 ' B' ' 42' ' ' VAL . . . -67.44 -38.37 90.91 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 121.132 -0.556 . . . . 1.0 112.019 -176.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -67.84 -33.85 75.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 1.0 111.405 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 32.1 pt -80.79 -13.65 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.695 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.462 ' C ' ' N ' ' B' ' 48' ' ' GLN . 16.2 m -50.23 -28.98 8.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.591 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.22 -11.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.25 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.462 ' N ' ' C ' ' B' ' 46' ' ' SER . 14.4 mm100 -94.12 -52.45 4.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.027 177.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.569 ' N ' HD12 ' B' ' 49' ' ' LEU . 9.8 mp -86.87 -64.89 1.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.236 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 66.38 25.83 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.991 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -91.31 -70.44 0.68 Allowed 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.6 m -158.87 132.0 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 1.0 109.937 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -54.11 -21.71 9.26 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.679 -0.408 . . . . 1.0 110.646 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 85.9 p -81.43 -24.83 36.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.481 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -77.5 -44.37 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.806 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.443 HG13 ' N ' ' B' ' 57' ' ' SER . 11.7 p -67.16 -38.51 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.647 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.443 ' N ' HG13 ' B' ' 56' ' ' VAL . 66.6 m -58.62 -66.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.389 . . . . 1.0 110.495 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -40.59 -30.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 1.0 111.244 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -70.97 -55.39 8.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.744 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 28.3 mt -54.49 -29.55 50.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.478 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -67.41 -35.13 78.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.795 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.524 ' O ' HD23 ' B' ' 62' ' ' LEU . 1.0 OUTLIER -67.04 -32.96 74.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.1 0.476 . . . . 1.0 110.039 -179.359 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.96 -26.04 63.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.1 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -69.89 -27.89 65.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.493 -0.321 . . . . 1.0 110.964 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.6 m -66.89 -41.18 87.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.179 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.468 ' C ' ' ND1' ' B' ' 67' ' ' HIS . 14.5 m -75.98 15.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.331 -177.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.468 ' ND1' ' C ' ' B' ' 66' ' ' VAL . 8.2 m80 71.09 10.39 6.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.504 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 36.1 mt -109.4 153.71 23.6 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 110.035 -0.358 . . . . 1.0 110.035 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.8 t 62.78 141.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.761 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -164.08 135.05 4.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.559 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.94 171.74 7.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.372 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -148.29 162.71 38.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.479 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -89.7 145.17 25.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.681 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -148.43 106.19 3.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.382 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.23 -95.91 0.04 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.472 ' CD ' ' N ' ' B' ' 76' ' ' GLN . 2.2 pm0 -133.88 12.69 4.0 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.794 0.331 . . . . 1.0 110.246 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -130.02 135.76 48.64 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.458 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' B' ' 78' ' ' MET . 4.4 mpp? -103.89 145.68 29.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.881 -0.599 . . . . 1.0 110.19 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 pt -138.53 158.24 30.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -110.89 142.95 42.27 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.466 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' B' ' 82' ' ' LEU . 8.7 t -147.95 175.44 10.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.01 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.436 ' N ' ' OG ' ' B' ' 81' ' ' SER . 3.4 pp -162.75 -22.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.916 -178.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 20.2 p-10 -58.78 99.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.177 -177.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -110.05 17.65 20.83 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.529 ' O ' ' CG ' ' B' ' 86' ' ' HIS . 10.0 mt 63.88 54.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.134 -177.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' B' ' 85' ' ' ILE . 20.3 m170 -164.95 -27.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 92.9 t -86.0 -37.14 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.827 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.68 -42.05 87.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.857 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.452 ' O ' ' N ' ' B' ' 93' ' ' GLN . 42.2 p -69.0 -47.81 64.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.758 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 4.3 tpt -45.04 -51.94 9.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.873 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 tp -68.03 -42.29 80.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.62 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -72.66 -14.22 61.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.957 -178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' B' ' 89' ' ' THR . 59.8 tp60 -81.5 -29.8 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 1.0 110.491 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.36 -44.65 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.452 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.5 -21.4 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.394 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -46.0 63.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.756 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -78.63 -15.27 58.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.753 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.6 -52.06 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.747 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.936 -179.08 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.2 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.771 0.32 . . . . 1.0 110.76 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -80.81 -20.12 43.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 1.0 110.529 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 14' ' ' GLU . 53.1 p -74.55 -70.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.651 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.0 mp -47.2 -20.59 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.381 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 12' ' ' THR . 41.8 mm-40 -79.28 -45.65 19.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.732 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -83.38 -26.99 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.214 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.9 t -76.14 -40.5 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.624 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.6 m -68.06 -19.32 64.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.977 0.418 . . . . 1.0 110.427 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' A' ' 20' ' ' PHE . 30.6 tt0 -74.49 -69.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.339 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.4 pt -35.81 -25.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.987 -0.551 . . . . 1.0 112.248 -174.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' GLU . 51.9 m-85 -76.11 -70.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.515 -0.474 . . . . 1.0 109.885 177.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -51.35 -23.58 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.833 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.58 -19.03 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.026 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.567 HD22 ' N ' ' A' ' 23' ' ' LEU . 3.1 mm? -89.43 12.17 17.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.347 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.81 -79.76 0.07 OUTLIER Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.03 135.42 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 1.0 110.807 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -72.94 -30.35 63.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.764 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.427 ' ND2' HD21 ' A' ' 49' ' ' LEU . 15.0 t-20 -49.62 -44.83 47.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.693 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -66.09 -38.54 88.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 1.0 111.142 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mt -59.51 -28.81 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.951 -178.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -69.17 -35.11 75.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.743 -0.208 . . . . 1.0 111.274 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.592 HD12 ' N ' ' A' ' 31' ' ' ILE . 1.4 mp -81.15 -16.35 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.0 tpt -81.82 -39.86 23.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 1.0 110.62 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' OG ' ' A' ' 36' ' ' SER . 14.3 pt-20 -80.68 -41.88 22.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.014 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -67.86 -67.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.447 -178.596 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 38' ' ' SER . 8.2 tp -46.84 -48.9 20.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.861 -177.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 33' ' ' GLU . 30.3 p -43.06 -40.18 3.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.032 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.19 -34.87 73.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.564 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 35' ' ' LEU . 40.0 m -167.23 137.58 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.533 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.93 158.42 19.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.143 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.33 164.92 37.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.985 0.421 . . . . 1.0 111.412 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.8 p -108.52 163.52 13.16 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.768 -0.651 . . . . 1.0 109.814 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.4 t -46.53 -46.3 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.69 0.281 . . . . 1.0 111.226 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.02 -53.46 40.04 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 121.385 -0.436 . . . . 1.0 112.042 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -60.8 -31.59 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.978 0.362 . . . . 1.0 111.978 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 48' ' ' GLN . 54.6 mt -71.93 -31.09 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.319 -0.552 . . . . 1.0 110.481 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -43.8 -19.58 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.84 0.353 . . . . 1.0 110.856 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' ILE . 11.9 m-70 -91.21 -30.2 16.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.734 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 45' ' ' ILE . 20.1 mt-30 -92.33 -58.36 2.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.022 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.427 HD21 ' ND2' ' A' ' 27' ' ' ASN . 16.1 tp -173.83 75.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.546 -0.297 . . . . 1.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 52' ' ' SER . 7.8 t30 -151.77 -15.9 0.19 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.792 -0.447 . . . . 1.0 109.792 177.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.499 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 3.1 pp -32.04 -28.62 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.822 -0.626 . . . . 1.0 111.924 -177.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 50' ' ' ASN . 31.1 t -95.44 72.38 3.21 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.991 -0.744 . . . . 1.0 108.991 173.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.602 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 18.3 mp0 -36.81 -63.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.869 -0.605 . . . . 1.0 112.01 -175.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.3 t -42.18 -18.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.423 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 53' ' ' GLN . 8.8 t-20 -76.54 -43.51 38.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.097 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG21 ' OD1' ' A' ' 50' ' ' ASN . 83.9 t -82.05 -41.81 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.783 0.325 . . . . 1.0 110.952 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.8 t -48.89 -48.53 42.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.013 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -74.48 -25.93 59.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.619 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -68.93 -60.94 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 1.0 111.191 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.57 -23.49 40.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.475 -0.33 . . . . 1.0 111.503 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -66.11 -42.38 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.169 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.37 -58.3 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.553 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.9 mt -45.69 -39.4 7.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.747 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -57.33 -42.23 81.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.826 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.485 ' C ' ' H ' ' A' ' 67' ' ' HIS . 41.0 t -64.91 -39.07 92.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.786 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -72.59 12.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.294 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.485 ' H ' ' C ' ' A' ' 65' ' ' SER . 2.2 t60 65.52 15.19 9.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.965 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' A' ' 69' ' ' VAL . 43.1 mt -96.64 139.54 32.57 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.687 -0.486 . . . . 1.0 109.687 176.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' A' ' 68' ' ' LEU . 20.7 m 46.49 177.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.392 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -165.25 154.93 12.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.687 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.4 153.17 20.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.079 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -140.26 153.83 46.64 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.881 0.372 . . . . 1.0 110.595 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -85.27 119.87 26.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.172 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -152.8 115.85 4.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.92 0.39 . . . . 1.0 110.76 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 49.63 56.97 10.11 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.169 -0.772 . . . . 1.0 111.169 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 50.6 8.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.598 0.237 . . . . 1.0 111.23 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.49 ' H ' ' C ' ' A' ' 75' ' ' GLY . 14.3 m -123.47 144.17 49.69 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.983 -0.377 . . . . 1.0 109.983 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.4 ptt? -109.57 128.35 55.14 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.953 0.406 . . . . 1.0 110.739 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 79' ' ' ILE . 14.6 pt -133.31 161.88 40.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.446 -0.575 . . . . 1.0 109.446 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -136.28 172.75 12.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.418 0.627 . . . . 1.0 111.168 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 44.7 t -170.01 -154.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.065 -0.971 . . . . 1.0 109.378 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.468 ' N ' ' OG ' ' A' ' 81' ' ' SER . 12.0 mt -86.89 -179.05 6.45 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.086 -0.339 . . . . 1.0 110.086 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -170.21 -8.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.731 -0.388 . . . . 1.0 111.238 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -116.3 -20.01 9.94 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.822 0.344 . . . . 1.0 110.414 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.524 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 27.4 mt 47.27 73.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.755 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 29.0 m80 -161.05 -54.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.318 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.5 m -46.19 -12.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.31 -178.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . -62.85 -60.05 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.838 0.351 . . . . 1.0 110.657 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.7 p -62.32 -30.05 70.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.729 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 32.8 ttm -49.57 -47.36 49.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.676 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 26.4 mt -64.01 -41.68 97.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.717 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.79 -70.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 1.0 111.025 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -42.5 -26.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.315 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -63.03 -53.19 57.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 1.0 110.71 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.0 mm -68.8 -17.44 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.713 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.564 ' ND1' ' NE2' ' B' ' 86' ' ' HIS . 66.6 t-80 -63.47 -40.56 97.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.592 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -70.65 -63.15 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.309 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.3 -28.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.95 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.688 179.799 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.975 0.417 . . . . 1.0 110.534 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 34.1 p-10 -73.52 -14.68 61.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.351 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.6 p -76.14 -59.34 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.482 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.527 ' N ' HD12 ' B' ' 13' ' ' LEU . 9.3 mp -47.0 -32.9 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.096 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -64.39 -56.19 15.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -68.08 -40.97 82.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.801 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.6 t -58.8 -17.11 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.619 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 96.1 m -85.96 -31.97 21.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 1.0 110.147 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -70.9 -20.79 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.65 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.556 HD13 ' O ' ' B' ' 19' ' ' ILE . 0.2 OUTLIER -56.32 -45.29 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.433 ' N ' ' CG2' ' B' ' 19' ' ' ILE . 29.0 m-85 -67.94 -55.86 11.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.693 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -51.2 -21.78 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.531 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -58.27 -36.59 73.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.921 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 23' ' ' LEU . 9.0 mp -63.97 -7.92 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 1.0 110.129 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 38.46 -127.03 1.75 Allowed Glycine 0 CA--C 1.527 0.788 0 CA-C-N 115.86 -0.609 . . . . 1.0 111.864 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -75.82 173.97 10.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.852 0.358 . . . . 1.0 110.84 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.598 ' CE2' ' ND2' ' B' ' 27' ' ' ASN . 19.4 p90 -68.99 -45.9 69.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.083 -178.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.598 ' ND2' ' CE2' ' B' ' 26' ' ' TYR . 67.7 m-80 -45.27 -33.84 2.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.909 0.385 . . . . 1.0 110.522 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.58 HH12 ' NE2' ' B' ' 59' ' ' GLN . 15.5 tpp180 -64.34 -34.16 77.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.251 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' B' ' 26' ' ' TYR . 43.9 mt -70.24 -28.81 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.779 -0.646 . . . . 1.0 111.095 -177.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 tpt85 -66.2 -32.11 73.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.398 . . . . 1.0 110.119 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 37.2 mt -63.14 -42.38 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.176 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 42.3 mtt -64.65 -44.97 88.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.687 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -54.7 -30.69 56.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.395 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.405 HD13 ' C ' ' B' ' 34' ' ' LEU . 0.3 OUTLIER -76.18 -62.03 1.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.178 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 34.2 mt -60.75 -6.65 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.604 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 5.8 t -81.63 -43.49 18.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.392 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 88.1 t -69.13 -24.39 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.638 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t 174.89 133.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.712 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.589 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 1.3 pm0 -51.79 164.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.746 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.425 ' CB ' HE22 ' B' ' 48' ' ' GLN . . . -157.61 154.92 29.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.619 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' B' ' 42' ' ' VAL . 33.4 t -85.35 -163.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.195 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.567 ' O ' HG22 ' B' ' 45' ' ' ILE . 70.7 t -79.62 -66.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.378 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.11 -32.67 63.26 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.541 -0.624 . . . . 1.0 111.541 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -58.47 -11.13 2.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.757 0.313 . . . . 1.0 110.712 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.567 HG22 ' O ' ' B' ' 42' ' ' VAL . 11.2 tt -78.05 -34.71 19.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.659 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.6 t -46.54 -32.71 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.71 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -84.56 -18.34 35.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.847 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.425 HE22 ' CB ' ' B' ' 40' ' ' ALA . 83.2 mt-30 -84.17 -57.42 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.1 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 21.8 mt -112.85 -27.89 7.95 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.93 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 t30 58.4 79.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 1.0 110.458 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 77.3 mt -140.54 -178.6 5.58 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.086 -0.507 . . . . 1.0 109.714 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 41.2 m -66.83 132.69 48.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.463 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -62.85 -40.18 96.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.075 -178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' B' ' 58' ' ' HIS . 36.8 m -52.29 -29.92 25.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.945 0.402 . . . . 1.0 110.408 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -73.56 -32.17 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.64 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.1 t -81.64 -49.4 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.282 -178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.7 p -57.89 -42.19 84.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 1.0 110.633 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' B' ' 54' ' ' SER . 2.1 m-70 -67.7 -42.47 81.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.104 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.58 ' NE2' HH12 ' B' ' 28' ' ' ARG . 38.7 mm-40 -64.63 -57.67 8.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 1.0 111.103 -178.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 38.4 mt -46.38 -24.52 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.76 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -72.93 -43.23 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 1.0 110.621 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 22.7 mt -59.5 -35.89 75.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.699 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.17 -23.84 62.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.77 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -65.3 -21.48 66.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.439 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.44 ' C ' ' H ' ' B' ' 67' ' ' HIS . 13.3 t -71.39 -59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.714 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.405 HG23 ' H ' ' B' ' 68' ' ' LEU . 5.5 m -64.62 1.12 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.599 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.44 ' H ' ' C ' ' B' ' 65' ' ' SER . 21.2 m80 58.65 14.18 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.083 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.469 HD13 ' O ' ' B' ' 68' ' ' LEU . 0.2 OUTLIER -74.76 -14.97 60.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.568 -0.531 . . . . 1.0 109.568 -179.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.497 HG12 ' N ' ' B' ' 70' ' ' LYS . 87.2 t -137.94 157.88 32.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.472 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.497 ' N ' HG12 ' B' ' 69' ' ' VAL . 83.7 tttt -163.98 128.83 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.298 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.59 174.56 5.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.982 0.42 . . . . 1.0 110.621 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -149.54 168.16 24.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.104 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -75.68 135.05 40.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -149.35 78.95 1.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.322 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 59.12 52.27 54.35 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.104 -0.798 . . . . 1.0 111.104 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 73.72 -28.67 0.19 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.555 0.217 . . . . 1.0 110.983 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . 0.459 ' H ' ' C ' ' B' ' 75' ' ' GLY . 8.8 t -81.06 128.13 33.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 1.0 110.637 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 39.1 tpp -83.29 107.11 15.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.524 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.412 HG23 ' O ' ' B' ' 79' ' ' ILE . 20.8 tt -94.02 133.1 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.719 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -110.85 143.13 41.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.379 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 27.8 t -144.98 171.07 14.97 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.53 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.413 ' C ' ' H ' ' B' ' 84' ' ' ASP . 22.0 mt -68.6 -32.44 72.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.833 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 67.56 -3.89 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.815 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' B' ' 82' ' ' LEU . 8.4 m-20 -157.82 147.84 20.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.509 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 23.8 pt -97.76 -18.92 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.477 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.564 ' NE2' ' ND1' ' A' ' 96' ' ' HIS . 32.1 m80 -51.04 -16.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.8 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 35.8 m -90.81 -27.57 4.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.564 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.17 76.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.658 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 34.4 m -77.58 -41.4 38.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.726 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 25.7 ttt -60.61 -40.35 91.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.721 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -67.96 -38.4 82.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.328 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -78.08 -9.27 59.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.783 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -88.13 -26.32 22.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.59 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.47 -50.99 18.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.418 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.0 mm -58.95 -27.99 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.439 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -66.06 -57.4 7.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.679 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' B' ' 99' ' ' ASN . 13.6 t60 -54.0 -70.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.832 -178.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -36.15 -25.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.102 -0.499 . . . . 1.0 112.086 -177.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' B' ' 97' ' ' HIS . 5.2 p-10 . . . . . 0 C--N 1.33 -0.275 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.984 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.867 0.365 . . . . 1.0 110.641 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.3 -19.11 62.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.536 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 m -69.63 -70.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.74 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.0 mp -43.64 -42.42 5.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.526 -179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -52.01 -61.26 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.015 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' GLU . 52.2 mtp180 -55.31 -52.5 63.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.3 t -43.42 -23.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.008 -178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 15' ' ' ARG . 11.9 m -81.98 -40.75 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.498 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ARG . 33.9 tt0 -61.61 -19.45 62.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.831 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.9 mm -69.99 -36.21 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.78 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -71.45 -65.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.609 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -46.06 -23.28 0.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.59 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.58 -34.99 58.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.985 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.6 mt -76.08 3.51 10.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.825 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 25' ' ' ASP . . . -55.19 -172.86 0.09 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 24' ' ' GLY . 4.8 m-20 55.45 108.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.333 . . . . 1.0 110.754 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -59.4 -37.17 77.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.714 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -58.39 -33.87 70.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.731 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -67.89 -30.02 69.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.947 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.0 mt -74.83 -26.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.967 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -70.18 -30.86 68.1 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.506 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 mm -63.22 -57.9 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.376 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 48.4 mtm -47.22 -37.66 10.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.525 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -59.66 -32.39 70.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.34 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -75.85 -52.36 10.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 1.0 109.95 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' ' 35' ' ' LEU . 13.9 mt -59.2 -15.75 16.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.483 178.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.5 t -75.39 -58.2 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.61 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.3 m -58.45 -35.27 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.652 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t 178.91 146.84 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 1.0 110.814 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.602 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.6 pm0 -49.73 175.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.637 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.1 144.91 19.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.7 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.1 m -87.89 -167.93 2.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.742 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.7 t -81.56 -63.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.883 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.27 -28.21 73.54 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 120.772 -0.728 . . . . 1.0 111.684 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -74.7 -39.24 62.07 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.193 0.442 . . . . 1.0 112.193 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.8 tt -76.19 -13.81 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.649 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 50' ' ' ASN . 90.5 p -64.64 -63.97 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.37 . . . . 1.0 110.567 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -55.54 -22.94 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.482 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -67.5 -16.92 64.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.087 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.0 tp -168.04 49.45 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.395 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.473 ' CG ' ' H ' ' A' ' 51' ' ' LEU . 36.9 t-20 51.49 -139.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.747 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' H ' ' CG ' ' A' ' 50' ' ' ASN . 8.7 mp 52.27 179.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 76.7 p -151.36 175.71 11.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.811 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -41.22 -43.48 2.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.778 -0.646 . . . . 1.0 111.45 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.8 m -55.02 -52.29 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.083 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -78.99 -38.14 37.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.182 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.6 t -68.23 -43.91 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 1.0 110.846 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 56.5 m -59.46 -37.75 78.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.561 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' LYS . 31.4 t-80 -70.38 -69.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.225 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 60' ' ' LEU . 2.6 pt20 -44.05 -42.27 6.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.971 -178.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.404 ' N ' ' CG ' ' A' ' 59' ' ' GLN . 10.2 tp -53.7 -34.85 60.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 1.0 110.448 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' HIS . 50.7 tttp -60.64 -34.25 73.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.933 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.581 HD22 ' N ' ' A' ' 62' ' ' LEU . 3.3 mm? -69.06 -27.24 65.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.34 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.6 mt -79.69 -39.36 31.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.738 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.47 ' NZ ' ' H ' ' A' ' 71' ' ' ALA . 61.9 tttp -64.75 -20.01 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.609 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 83.0 p -74.12 -57.5 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.011 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.468 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 7.5 p -66.07 -5.35 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.65 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 65' ' ' SER . 4.8 m80 78.33 14.81 1.38 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.827 -0.624 . . . . 1.0 112.164 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.6 mt -80.06 -12.07 59.72 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.633 -0.506 . . . . 1.0 109.633 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 70' ' ' LYS . 93.1 t -139.85 159.51 26.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.876 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.516 ' N ' HG12 ' A' ' 69' ' ' VAL . 64.4 tttm -146.83 136.25 22.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.276 -179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.47 ' H ' ' NZ ' ' A' ' 64' ' ' LYS . . . -102.38 142.85 32.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.455 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -148.92 163.07 38.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.13 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -89.3 131.63 35.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.265 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -140.76 78.86 1.67 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.066 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.34 -99.96 2.21 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.766 -0.934 . . . . 1.0 110.766 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -133.17 13.39 4.24 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.741 0.305 . . . . 1.0 110.419 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.2 p -128.25 135.29 49.46 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.471 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 78' ' ' MET . 1.7 mpt? -85.91 87.66 7.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.436 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.1 mt -91.34 148.32 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.427 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -137.6 173.94 11.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.281 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.3 t -172.17 -156.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.568 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -68.8 -160.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.629 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -154.07 -7.64 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.54 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.493 ' OD2' ' ND1' ' A' ' 86' ' ' HIS . 44.1 t0 -167.96 160.27 12.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.428 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.458 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 21.4 pt -81.7 -4.58 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.73 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.493 ' ND1' ' OD2' ' A' ' 84' ' ' ASP . 32.6 m170 -78.42 -24.75 46.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.58 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.74 -46.09 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.732 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.34 -64.13 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.86 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.1 p -44.97 -48.47 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.938 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.0 ttt -42.13 -48.98 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.243 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.2 mt -65.76 -37.87 87.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.978 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.525 ' O ' ' ND1' ' A' ' 96' ' ' HIS . 90.9 mttt -78.66 -12.72 60.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.189 -177.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -85.22 -20.99 29.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 1.0 110.517 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.64 -59.39 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.542 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.53 -25.37 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.796 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 92' ' ' LYS . 0.3 OUTLIER -68.62 -47.98 65.24 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.861 -0.336 . . . . 1.0 110.537 179.224 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -63.88 -14.05 50.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.797 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.94 -67.04 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.905 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.455 ' N ' HD22 ' A' ' 99' ' ' ASN . 1.6 m-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.86 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.1 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.776 0.322 . . . . 1.0 110.5 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -73.53 -53.51 10.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.747 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 51.1 p -60.67 -50.89 71.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.518 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 36.6 tp -50.41 -29.33 9.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.532 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -61.03 -59.26 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.629 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -58.03 -42.27 84.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.745 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 84.2 t -53.63 -32.87 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.76 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -74.7 -39.65 61.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.676 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.88 -16.3 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.731 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.451 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 98.4 mt -69.39 -70.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.674 -0.411 . . . . 1.0 110.507 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -40.38 -63.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.466 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -44.45 -33.49 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.145 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -66.74 -29.64 69.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.342 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.539 HD22 ' N ' ' B' ' 23' ' ' LEU . 3.1 mm? -89.46 12.19 17.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.579 0.228 . . . . 1.0 110.506 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.19 -163.65 11.92 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 60.74 115.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 1.0 110.644 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -51.08 -57.96 7.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.855 -0.611 . . . . 1.0 111.196 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -46.31 -38.36 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.638 -177.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.557 HH12 ' CG ' ' B' ' 59' ' ' GLN . 80.0 mtt-85 -69.2 -43.25 74.53 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.972 -0.291 . . . . 1.0 111.363 -177.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 97.0 mt -51.67 -29.89 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.695 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -73.1 -33.65 65.7 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.925 -0.31 . . . . 1.0 110.896 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 55.6 mt -60.29 -42.08 89.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.505 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 13.5 tpt -71.08 -40.42 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 1.0 110.706 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -53.9 -54.79 33.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.44 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.24 -28.71 67.47 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.818 -0.353 . . . . 1.0 111.313 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 38.3 mt -64.61 -40.42 95.45 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.769 -0.456 . . . . 1.0 109.769 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 62.0 p -55.94 -43.14 77.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.501 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.8 t -67.08 -48.78 78.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.454 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 13.9 t -161.17 147.98 14.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.644 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -64.21 176.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.572 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.32 135.44 11.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.523 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.6 m -69.97 -168.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.384 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.657 HG13 ' N ' ' B' ' 43' ' ' GLY . 14.6 p -72.57 -60.41 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.616 -0.434 . . . . 1.0 110.759 -178.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.657 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -75.14 -32.82 55.62 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.535 -0.626 . . . . 1.0 111.535 -178.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -49.35 -20.18 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 1.0 110.836 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.563 HG22 ' O ' ' B' ' 42' ' ' VAL . 11.2 tt -74.86 -25.74 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.796 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.511 ' O ' ' N ' ' B' ' 50' ' ' ASN . 73.7 m -49.66 -59.11 4.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.009 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -43.82 -18.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.305 -178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' B' ' 46' ' ' SER . 8.5 tp-100 -92.79 -57.63 2.6 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.764 0.316 . . . . 1.0 110.597 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 17.6 mt -100.18 -46.48 5.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.348 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' B' ' 46' ' ' SER . 20.0 t-20 57.4 87.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.743 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 57.4 mt -134.4 -85.72 0.41 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.335 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 10.2 t -157.93 127.29 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -47.24 -36.42 8.97 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.823 -0.351 . . . . 1.0 110.7 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.9 p -62.23 -27.02 68.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.761 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.88 -40.12 63.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.859 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.96 -45.99 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.635 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.8 t -54.25 -36.25 63.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.23 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -79.42 -67.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.642 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . 0.557 ' CG ' HH12 ' B' ' 28' ' ' ARG . 28.9 tt0 -49.41 -27.38 4.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.432 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 37.1 tp -75.14 -41.18 58.9 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.636 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -63.46 -22.04 66.66 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.477 -0.489 . . . . 1.0 110.575 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 23.4 mt -71.55 -43.55 66.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.357 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.2 -30.83 68.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.455 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -66.07 -37.5 85.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.568 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 9.0 m -53.47 -40.88 65.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.475 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.1 t -77.32 -11.69 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.086 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 67.74 16.97 9.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.919 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 38.6 tp -63.19 -14.2 46.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.043 0.449 . . . . 1.0 110.272 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.3 m -146.02 172.51 3.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.554 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -151.92 120.99 6.67 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.18 163.34 12.29 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.014 0.435 . . . . 1.0 110.939 -177.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -140.72 156.6 46.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.643 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' B' ' 73' ' ' ARG . 0.8 OUTLIER -82.64 116.75 22.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.269 179.638 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -149.68 115.48 5.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 1.0 109.989 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.9 -169.18 52.94 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.222 -1.151 . . . . 1.0 110.222 -177.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -81.31 33.56 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.808 0.337 . . . . 1.0 110.612 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 84.5 p -151.06 166.35 31.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.035 0.445 . . . . 1.0 110.692 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 49.7 mtt -109.84 92.06 3.9 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.354 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -78.41 147.6 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.487 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.5 ' O ' ' CD1' ' B' ' 80' ' ' TYR . 47.5 p90 -150.56 128.47 11.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.439 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 46.0 p -123.38 -144.93 0.34 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.829 0.347 . . . . 1.0 110.271 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mt -74.38 163.42 27.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.709 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -79.24 -67.93 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.809 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -159.11 -179.02 7.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.729 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.525 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 13.5 pt -74.05 62.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.69 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' B' ' 85' ' ' ILE . 37.2 m80 -150.05 -24.65 0.26 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.519 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.498 HG23 ' N ' ' B' ' 88' ' ' ALA . 34.3 m -76.33 -41.11 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.858 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.498 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -74.15 -22.84 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.951 -178.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 32.6 p -72.65 -40.82 66.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.878 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 20.8 ttt -79.83 -29.22 40.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.967 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.82 -53.51 39.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.81 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.445 ' CG ' ' N ' ' B' ' 93' ' ' GLN . 17.7 ptmt -62.8 -52.59 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.832 -178.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.445 ' N ' ' CG ' ' B' ' 92' ' ' LYS . 79.8 mt-30 -45.99 -27.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.671 0.272 . . . . 1.0 110.865 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.27 -41.86 47.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 1.0 110.343 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 84.4 mt -72.73 -26.16 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.429 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -72.69 -25.29 61.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.381 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . 0.41 ' C ' ' H ' ' B' ' 99' ' ' ASN . 19.3 t60 -83.8 -20.36 33.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.417 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.57 5.45 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.65 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' B' ' 97' ' ' HIS . 57.1 t30 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.259 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.4 p . . . . . 0 N--CA 1.462 0.15 0 CA-C-O 120.885 0.374 . . . . 1.0 110.54 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.477 ' CG ' ' H ' ' A' ' 12' ' ' THR . 8.2 p-10 -86.92 -64.34 1.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.569 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.477 ' H ' ' CG ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -52.46 -24.36 7.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.715 -179.522 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.426 ' O ' HG22 ' A' ' 16' ' ' VAL . 19.7 tp -72.96 -53.54 10.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.194 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -62.62 -12.02 20.58 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.913 -0.315 . . . . 1.0 110.705 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -72.39 -60.58 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.752 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 13' ' ' LEU . 6.4 m -50.27 -18.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.471 -179.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 m -77.7 -35.56 51.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.279 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -64.3 -20.1 65.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.618 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.448 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 60.4 mt -63.54 -70.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.634 -0.426 . . . . 1.0 110.176 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' LEU . 98.1 m-85 -40.55 -58.11 1.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.258 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -44.35 -32.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.001 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -70.67 -30.43 67.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.924 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 23' ' ' LEU . 3.1 mm? -81.22 -5.45 57.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.291 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 26' ' ' TYR . . . -55.12 -46.7 77.37 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.231 -0.748 . . . . 1.0 111.231 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 25.4 p-10 -46.45 90.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.999 0.428 . . . . 1.0 110.681 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 24' ' ' GLY . 36.5 t80 -46.62 -67.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.382 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -40.24 -32.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.754 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' ILE . 1.0 OUTLIER -69.49 -51.44 35.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.413 . . . . 1.0 110.424 -178.224 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 76.0 mt -42.65 -35.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.395 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -69.99 -33.3 71.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 1.0 110.752 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 28' ' ' ARG . 62.5 mt -71.0 -30.45 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.242 178.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 38.1 ttp -63.18 -31.93 73.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.265 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -67.26 -31.23 71.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.359 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.9 tp -70.8 -58.98 3.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.306 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.2 mt -52.53 -24.35 7.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.874 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.5 t -64.85 -54.06 36.92 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.839 -0.344 . . . . 1.0 110.455 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.1 t -57.68 -37.6 60.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.528 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 t -177.55 146.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.631 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -53.01 160.52 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.229 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.04 149.89 23.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.903 0.382 . . . . 1.0 110.761 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.3 t -87.25 162.44 17.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.451 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.2 t -49.04 -49.67 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.092 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.72 -46.03 92.71 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.237 -0.745 . . . . 1.0 111.237 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -52.0 -30.11 23.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.557 0.217 . . . . 1.0 111.026 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.5 mm -65.96 -27.94 42.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 50' ' ' ASN . 17.8 m -53.34 -62.71 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.867 -178.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -55.95 -18.32 8.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.447 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -72.14 -23.22 61.27 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.792 -0.363 . . . . 1.0 111.21 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 tp -163.18 22.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.938 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 46' ' ' SER . 5.9 m-80 43.09 91.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.971 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 tp -152.96 170.11 21.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.154 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.1 t -83.02 150.94 26.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.501 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -73.05 -51.66 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.607 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.5 m -45.99 -36.03 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.692 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.404 ' N ' HD22 ' A' ' 55' ' ' ASN . 1.9 m120 -68.57 -44.47 74.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.733 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.86 -37.96 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.611 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.9 p -63.28 -44.92 93.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.346 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -60.43 -52.05 66.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.596 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -51.74 -59.91 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.62 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.8 mt -44.28 -25.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.103 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -70.67 -40.89 72.71 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.721 -0.392 . . . . 1.0 110.559 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.584 ' N ' HD12 ' A' ' 62' ' ' LEU . 9.4 mp -62.03 -30.59 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.118 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.591 ' N ' HD12 ' A' ' 63' ' ' LEU . 7.5 mp -78.98 -31.12 44.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.246 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -66.12 -21.64 66.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.374 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.484 ' C ' ' H ' ' A' ' 67' ' ' HIS . 44.2 m -73.83 -49.22 26.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.119 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.1 p -76.0 30.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.235 0.541 . . . . 1.0 110.62 -178.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.484 ' H ' ' C ' ' A' ' 65' ' ' SER . 23.8 m80 59.36 9.68 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.683 -0.69 . . . . 1.0 112.452 175.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.38 145.23 28.44 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.2 t 65.73 149.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.306 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -142.14 174.93 10.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.066 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -131.38 130.64 42.88 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.026 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -117.57 137.03 52.87 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.345 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -90.68 128.1 36.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.19 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -147.1 97.56 2.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.859 0.361 . . . . 1.0 110.19 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.94 -100.34 1.47 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.725 -0.95 . . . . 1.0 110.725 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -128.17 -25.48 2.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.795 0.331 . . . . 1.0 110.422 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.9 t -89.42 144.73 25.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.64 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 41.6 mtp -97.36 99.78 11.22 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.185 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.4 mm -79.31 132.19 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.89 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -110.7 142.92 41.97 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.365 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.3 p -153.83 -178.21 6.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.633 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.7 163.26 27.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.755 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -70.91 -60.47 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.658 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 18.0 t70 -162.02 -169.96 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.461 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.526 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 11.2 mm -73.48 70.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.607 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 25.0 m170 -154.28 -30.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.3 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 44.8 t -81.22 -34.29 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.72 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.48 -61.05 2.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.803 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -38.95 69.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.767 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 42.1 ttm -51.26 -46.11 62.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.574 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.1 tp -58.57 -42.73 88.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.283 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -67.77 -63.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.904 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -40.2 -31.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.705 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.402 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -69.95 -66.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 1.0 111.015 -178.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.6 mp -59.94 -5.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.794 -0.447 . . . . 1.0 109.794 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.402 ' H ' ' C ' ' A' ' 94' ' ' ALA . 57.3 t60 -73.28 -63.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.405 178.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 97' ' ' HIS . 33.6 t60 -56.71 -16.34 6.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.486 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.76 -71.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.465 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.403 179.471 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.4 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.865 0.364 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -55.45 -43.43 75.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.539 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.4 p -60.29 -44.37 95.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.483 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.523 ' O ' HD13 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -44.43 -37.44 3.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.227 -179.78 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -63.87 -58.54 6.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.581 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' B' ' 18' ' ' GLU . 41.1 ttm180 -52.38 -45.17 65.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.908 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 90.8 t -45.68 -23.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.439 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 29.7 m -76.13 -41.17 50.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.349 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' B' ' 15' ' ' ARG . 81.3 tt0 -56.96 -18.16 12.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.678 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 51.9 mt -70.94 -63.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.796 -0.362 . . . . 1.0 110.742 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -48.37 -63.88 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.837 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -47.5 -37.49 12.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.213 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.65 4.9 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.367 . . . . 1.0 110.684 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.5 tp -121.79 -17.51 7.36 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.185 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.71 77.07 0.8 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.976 -0.849 . . . . 1.0 110.976 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -164.09 114.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 1.0 110.538 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -51.2 -26.42 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.769 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.517 HD22 ' C ' ' B' ' 27' ' ' ASN . 0.4 OUTLIER -75.91 -47.04 26.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.201 -178.302 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -75.64 -35.14 60.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.174 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.63 -43.72 95.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.206 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.534 ' NH1' HE21 ' B' ' 48' ' ' GLN . 43.4 ttt-85 -73.54 -33.04 64.52 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.636 -0.426 . . . . 1.0 111.304 -177.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 88.9 mt -66.29 -35.62 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.745 -0.382 . . . . 1.0 109.986 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 7.4 mmt -60.81 -36.7 79.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.367 178.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -62.34 -33.98 75.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.733 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 18.8 tp -70.85 -54.37 11.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.337 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 34.8 mt -58.82 -12.95 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.795 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -78.89 -40.08 33.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.572 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 47.1 t -71.63 -37.03 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.687 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 34.6 p -173.51 161.69 4.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.666 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.507 ' N ' ' OE2' ' B' ' 39' ' ' GLU . 1.8 mp0 -72.41 156.01 39.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.399 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.22 144.25 18.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.867 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.8 m -80.12 166.68 21.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.188 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.579 HG23 ' N ' ' B' ' 43' ' ' GLY . 24.2 m -54.42 -50.34 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.69 -0.404 . . . . 1.0 110.644 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.579 ' N ' HG23 ' B' ' 42' ' ' VAL . . . -61.06 -34.54 88.31 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.184 -0.766 . . . . 1.0 111.184 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 50.1 m170 -66.03 -27.18 67.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.321 . . . . 1.0 110.731 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.0 mt -70.26 -22.28 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.239 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.528 ' O ' ' N ' ' B' ' 50' ' ' ASN . 7.6 m -53.57 -55.77 22.82 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.438 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -45.13 -21.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.534 HE21 ' NH1' ' B' ' 30' ' ' ARG . 33.4 tp60 -90.11 -45.27 9.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.162 178.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 38.9 mt -134.25 59.29 1.74 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.004 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' B' ' 46' ' ' SER . 40.9 m-80 -48.6 96.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.792 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 72.3 mt -137.1 -78.94 0.39 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.387 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -157.75 132.14 8.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.357 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.564 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 3.0 mp0 -63.39 -50.19 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.684 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.1 p -48.7 -30.98 6.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.695 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -74.06 -39.59 63.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.418 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.63 -44.58 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.318 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.4 p -59.98 -38.47 82.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.269 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -67.32 -40.3 85.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.545 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -66.69 -62.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.355 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -44.72 -27.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.968 -0.293 . . . . 1.0 111.348 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -70.18 -37.41 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.585 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.37 -35.1 79.28 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.575 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.571 HD12 ' N ' ' B' ' 63' ' ' LEU . 8.1 mp -69.88 -25.62 63.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.313 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -61.28 -45.08 95.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.667 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.469 ' O ' ' CE1' ' B' ' 67' ' ' HIS . 26.6 t -54.5 -36.37 64.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.718 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.9 0.41 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.459 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.469 ' CE1' ' O ' ' B' ' 65' ' ' SER . 13.4 m80 65.6 12.98 8.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.352 178.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 71.7 mt -76.96 -108.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.368 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.2 m -43.38 156.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.843 0.354 . . . . 1.0 111.084 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -149.03 172.54 14.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 1.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.12 131.71 11.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.949 0.404 . . . . 1.0 110.632 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . 0.454 ' NZ ' ' CB ' ' B' ' 72' ' ' LYS . 8.4 mtpm? -110.04 161.82 15.15 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.399 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.46 ' N ' ' CD ' ' B' ' 73' ' ' ARG . 0.8 OUTLIER -89.95 124.89 35.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.959 178.465 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -152.68 93.99 1.83 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.666 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.02 28.58 53.91 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.307 -0.717 . . . . 1.0 111.307 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 71.7 18.78 5.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.925 0.393 . . . . 1.0 110.535 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 6.4 t -126.88 132.07 51.02 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.332 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.443 ' SD ' ' N ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -84.33 110.91 18.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.467 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.0 mm -93.12 120.87 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.606 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -96.15 132.95 41.03 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.603 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 18.9 p -132.19 161.14 34.12 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.256 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' B' ' 84' ' ' ASP . 10.5 tp -78.27 65.32 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.892 -178.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 50.65 -86.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.119 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 82' ' ' LEU . 12.6 m-20 -148.94 168.99 21.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.098 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 pt -61.29 -2.15 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.753 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.44 ' O ' HG22 ' B' ' 89' ' ' THR . 34.0 m170 -71.0 -80.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.352 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 61.7 t -45.92 -20.45 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.748 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' B' ' 86' ' ' HIS . . . -59.37 -61.48 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.646 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . 0.44 HG22 ' O ' ' B' ' 86' ' ' HIS . 0.9 OUTLIER -61.47 -28.85 69.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.594 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 9.1 ttt -62.75 -38.01 88.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.284 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . 0.5 ' O ' HD23 ' B' ' 91' ' ' LEU . 1.1 tt -57.51 -48.52 79.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 1.0 109.766 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -65.2 -56.0 15.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.735 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -46.43 -28.33 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.447 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.23 -66.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 1.0 110.836 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . 0.429 ' O ' ' ND2' ' B' ' 99' ' ' ASN . 11.1 tt -55.04 -14.02 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.76 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -68.59 -58.46 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.609 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -60.07 -21.21 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.607 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.3 -76.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.383 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.522 ' C ' HD22 ' B' ' 99' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.293 179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.233 0.204 0 CA-C-O 120.786 0.327 . . . . 1.0 110.478 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -74.6 -38.42 62.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.635 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' ARG . 87.9 m -53.54 -67.17 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.78 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.0 mp -46.75 -33.94 4.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.351 -179.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -72.87 -35.52 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.991 0.424 . . . . 1.0 110.074 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 12' ' ' THR . 38.4 ttm180 -75.55 -51.8 12.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.877 -0.602 . . . . 1.0 110.768 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.3 t -50.91 -38.93 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.755 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.8 m -68.03 -36.62 80.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.636 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.99 -22.32 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.891 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.3 mm -70.54 -32.42 49.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.422 -0.353 . . . . 1.0 110.884 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.444 ' CE2' HD11 ' B' ' 23' ' ' LEU . 58.5 m-85 -77.31 -63.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.894 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -50.52 -26.27 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 1.0 110.469 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.52 3.19 9.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.842 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.1 mt -130.97 15.24 5.23 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.184 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.99 -65.05 3.84 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.804 -0.918 . . . . 1.0 110.804 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -48.04 120.87 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 1.0 110.73 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -68.58 -25.15 64.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.858 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -57.23 -37.65 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.92 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.53 -22.2 59.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.995 -178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.7 mt -76.87 -35.93 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.949 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -70.49 -32.06 69.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.844 -0.343 . . . . 1.0 110.675 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -71.5 -53.34 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.58 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.403 ' O ' ' OG ' ' A' ' 36' ' ' SER . 56.5 mtt -49.83 -34.06 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.783 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -66.07 -40.19 90.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.919 0.39 . . . . 1.0 110.624 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.524 HD23 HE22 ' A' ' 48' ' ' GLN . 0.2 OUTLIER -61.99 -57.06 13.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.064 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 35' ' ' LEU . 10.1 mp -54.7 -22.37 13.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.711 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 32' ' ' MET . 2.0 m -63.18 -33.63 75.9 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.424 -0.51 . . . . 1.0 109.841 178.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 t -78.76 -38.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.429 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.8 p -169.48 130.71 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.87 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.595 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.3 pm0 -48.14 172.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.867 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.49 146.2 19.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.551 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.6 t -89.53 -170.21 2.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.564 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -69.88 -61.45 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.114 0.483 . . . . 1.0 110.586 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.51 -37.68 89.15 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -71.92 -43.37 65.42 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.6 tt -73.21 -18.37 18.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.259 -0.576 . . . . 1.0 111.003 -176.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.555 ' CB ' HE22 ' A' ' 53' ' ' GLN . 5.3 m -63.13 -15.32 56.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.008 0.432 . . . . 1.0 110.536 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.504 ' N ' ' ND1' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -81.99 -11.23 58.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.136 179.211 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.524 HE22 HD23 ' A' ' 34' ' ' LEU . 33.5 tp60 -75.04 -45.85 38.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.928 -178.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.4 tp -171.19 -30.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.147 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' SER . 15.3 m120 -84.35 129.14 34.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.567 -0.288 . . . . 1.0 110.899 -178.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.607 HD12 ' N ' ' A' ' 51' ' ' LEU . 8.4 mp -87.91 -63.84 1.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.895 0.379 . . . . 1.0 110.018 178.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 m -72.4 141.94 48.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.63 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.555 HE22 ' CB ' ' A' ' 46' ' ' SER . 46.8 mm-40 -80.94 -51.56 8.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.913 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -44.79 -27.64 0.54 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.868 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -67.31 -44.4 79.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.621 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.33 -34.65 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.828 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -57.3 -40.72 78.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.023 0.44 . . . . 1.0 109.945 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.32 -52.23 59.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.292 178.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -49.53 -63.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.023 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.6 mt -42.49 -25.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.454 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -70.86 -42.14 70.49 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.965 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.533 HD22 ' N ' ' A' ' 62' ' ' LEU . 3.2 mm? -67.59 -47.96 68.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.59 -179.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.5 mt -55.87 -27.26 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.667 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -72.04 -31.86 66.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.404 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.474 ' C ' ' H ' ' A' ' 67' ' ' HIS . 15.0 t -55.37 -57.81 10.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.664 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 66' ' ' VAL . 2.6 p -62.94 0.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.258 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.474 ' H ' ' C ' ' A' ' 65' ' ' SER . 26.6 t60 64.47 15.1 9.35 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.18 177.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.406 ' H ' HG13 ' A' ' 66' ' ' VAL . 21.2 tp -64.08 -113.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.725 -0.472 . . . . 1.0 109.725 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 68' ' ' LEU . 20.9 m -46.93 174.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.402 . . . . 1.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -142.53 175.01 10.12 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.051 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.04 158.78 38.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.423 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 79' ' ' ILE . 30.3 ttmt -149.69 116.99 6.05 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.599 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -60.53 151.22 29.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.182 0.515 . . . . 1.0 111.408 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -153.06 87.67 1.28 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.27 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 74.12 62.92 2.8 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 57.56 1.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.453 0.168 . . . . 1.0 111.435 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 75' ' ' GLY . 61.1 m -108.73 132.57 53.82 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.802 0.334 . . . . 1.0 110.367 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.412 ' H ' ' HG2' ' A' ' 78' ' ' MET . 15.6 ptt? -98.46 118.29 34.82 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.394 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 79' ' ' ILE . 10.4 tp -95.44 123.26 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.48 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.434 ' CE2' ' CD2' ' A' ' 35' ' ' LEU . 14.7 t80 -101.4 136.06 41.87 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.211 -0.45 . . . . 1.0 109.941 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 p -165.86 -160.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.879 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.8 mt -78.81 176.72 9.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.829 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -93.71 -63.18 1.23 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.921 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.457 ' O ' HG23 ' A' ' 85' ' ' ILE . 74.3 m-20 -145.69 -83.56 0.13 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.24 -177.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.626 ' C ' HD12 ' A' ' 85' ' ' ILE . 2.4 pp -156.93 -2.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.526 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.617 ' N ' HD12 ' A' ' 85' ' ' ILE . 52.7 m80 -77.84 -35.87 50.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.176 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 37.0 t -67.13 -43.33 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.549 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.37 -52.94 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.456 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.7 m -49.21 -31.12 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.377 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.6 tpp -62.62 -41.59 99.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.629 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.5 mt -72.36 -49.94 30.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.914 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -56.99 -24.13 51.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.223 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -86.08 -23.56 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 1.0 110.551 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.16 -47.59 42.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.508 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.4 mm -68.18 -23.69 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.524 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.508 ' NE2' ' ND1' ' B' ' 86' ' ' HIS . 43.5 t60 -67.33 -60.24 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.792 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -63.17 -18.3 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.992 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.33 -77.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.9 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 19.7 p30 . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.713 -179.57 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.796 0.331 . . . . 1.0 110.582 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -75.77 -30.42 59.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.526 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.4 p -52.05 -37.66 54.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.597 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.58 ' N ' HD12 ' B' ' 13' ' ' LEU . 7.9 mp -77.41 -36.25 53.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.198 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.75 -10.59 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.707 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' B' ' 17' ' ' THR . 92.8 mtt180 -93.48 -70.12 0.72 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.887 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.6 m -44.24 -15.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.316 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.514 ' N ' ' O ' ' B' ' 15' ' ' ARG . 16.1 p -78.75 -51.78 9.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.14 -178.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' B' ' 22' ' ' ALA . 5.6 pt-20 -64.45 -16.02 61.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.821 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 35.7 mm -67.31 -37.57 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.661 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -70.88 -66.72 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.488 -0.324 . . . . 1.0 111.01 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -55.17 -21.88 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.473 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' B' ' 18' ' ' GLU . . . -50.51 -32.92 19.62 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.908 -0.317 . . . . 1.0 110.952 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -129.94 58.38 1.65 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.979 0.418 . . . . 1.0 110.733 -179.67 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.36 -22.12 38.7 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -81.47 130.45 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 1.0 110.886 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' B' ' 29' ' ' ILE . 67.7 m-85 -51.98 -71.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.307 -178.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -33.66 -34.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.337 0.495 . . . . 1.0 112.337 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' B' ' 26' ' ' TYR . 94.8 mtt180 -72.13 -34.76 68.8 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.994 -0.282 . . . . 1.0 111.709 -177.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' B' ' 26' ' ' TYR . 6.0 tt -59.18 -29.34 41.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.641 -0.423 . . . . 1.0 110.703 -177.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -78.92 -33.79 45.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.322 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -58.25 -47.26 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.761 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 53.7 mtm -70.36 -36.64 74.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.998 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -56.13 -32.55 64.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 24.0 tp -71.57 -46.25 59.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.378 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 31.1 mt -63.49 -5.79 4.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -84.49 -57.98 2.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.311 . . . . 1.0 110.369 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 15.3 t -59.65 -39.75 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.562 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -165.5 153.16 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.461 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.573 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 1.8 mp0 -67.4 162.83 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.509 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.06 134.57 10.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.5 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.6 p -81.4 -164.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.643 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.473 ' O ' HG22 ' B' ' 45' ' ' ILE . 96.3 t -77.58 -66.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.911 -179.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.55 -19.35 18.96 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.604 -0.598 . . . . 1.0 111.604 -178.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -79.39 -12.92 59.9 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.76 -0.259 . . . . 1.0 111.571 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.473 HG22 ' O ' ' B' ' 42' ' ' VAL . 9.1 tp -75.93 -22.58 15.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.734 -0.387 . . . . 1.0 110.694 -178.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.2 m -55.61 -8.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.86 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . 0.413 ' H ' ' C ' ' B' ' 45' ' ' ILE . 2.0 m-70 -86.11 -31.3 21.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.603 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -95.91 -57.56 2.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.428 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' B' ' 51' ' ' LEU . 9.8 mp -97.16 50.63 1.09 Allowed 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.942 -0.392 . . . . 1.0 109.942 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' B' ' 50' ' ' ASN . 1.5 m120 -46.71 87.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.895 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' B' ' 49' ' ' LEU . 16.2 tp -160.84 -68.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.408 -177.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -158.59 138.75 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.587 -0.279 . . . . 1.0 110.404 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.449 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 23.3 mp0 -77.27 -48.68 16.85 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.935 -0.306 . . . . 1.0 110.778 179.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.482 ' O ' ' CE1' ' B' ' 58' ' ' HIS . 11.6 t -49.43 -29.75 6.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.762 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.415 ' N ' HD22 ' B' ' 55' ' ' ASN . 1.5 m120 -66.87 -41.5 87.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.496 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 57.3 t -73.92 -37.17 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.598 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.0 p -58.83 -31.76 68.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.202 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . 0.482 ' CE1' ' O ' ' B' ' 54' ' ' SER . 15.9 m170 -76.31 -63.13 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.397 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.52 -44.35 17.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.696 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.6 tp -58.15 -33.38 69.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 1.0 110.525 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -61.94 -30.93 71.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.67 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.565 HD22 ' N ' ' B' ' 62' ' ' LEU . 3.0 mm? -78.82 -25.8 44.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.043 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 25.5 tp -73.63 -33.58 64.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.261 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . 0.433 ' O ' ' CD2' ' B' ' 67' ' ' HIS . 34.9 ttmt -71.7 -26.97 62.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.653 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 9.3 t -48.92 -52.22 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.056 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.8 t -79.92 -4.5 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.093 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' B' ' 69' ' ' VAL . 42.1 m80 56.56 25.63 10.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.295 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.15 -10.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.966 -0.383 . . . . 1.0 109.966 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' B' ' 67' ' ' HIS . 16.2 m -146.66 173.29 2.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.534 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -136.87 150.03 48.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.134 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -133.43 159.66 39.68 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.371 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -135.42 146.98 48.82 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.376 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 66.8 mtm-85 -90.96 135.47 33.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.23 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -140.78 92.89 2.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.888 0.375 . . . . 1.0 110.37 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.82 -76.39 1.75 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.249 -0.74 . . . . 1.0 111.249 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -154.49 -18.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.739 0.304 . . . . 1.0 110.814 -178.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 67.3 m -87.32 133.69 33.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.843 0.354 . . . . 1.0 110.632 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.447 ' O ' ' CE2' ' B' ' 80' ' ' TYR . 44.6 mtt -92.68 96.18 10.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.492 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.686 HD12 ' N ' ' B' ' 79' ' ' ILE . 1.5 mp -82.31 150.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.85 -0.426 . . . . 1.0 109.85 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.447 ' CE2' ' O ' ' B' ' 78' ' ' MET . 73.7 m-85 -130.01 146.11 51.68 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.205 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.3 m -159.51 -169.53 2.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.576 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.601 HD22 ' N ' ' B' ' 82' ' ' LEU . 3.1 mm? -69.22 171.95 7.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.179 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' B' ' 84' ' ' ASP . 8.8 t70 -84.36 -89.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.684 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 45.6 t0 -147.32 42.62 1.1 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.39 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.564 HG22 ' N ' ' B' ' 86' ' ' HIS . 33.8 mt 66.09 167.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 O-C-N 123.406 0.441 . . . . 1.0 110.152 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.564 ' N ' HG22 ' B' ' 85' ' ' ILE . 4.2 m170 87.23 -41.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.793 0.683 . . . . 1.0 110.211 -177.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 66.7 t -73.17 -49.13 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.945 0.403 . . . . 1.0 110.46 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.67 -56.73 14.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.049 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 1.5 t -48.12 -40.37 23.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.856 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 37.3 ttm -49.28 -44.45 44.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 1.0 110.27 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.23 -41.07 99.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.666 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' B' ' 94' ' ' ALA . 62.1 tttm -66.41 -62.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.877 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -45.5 -18.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.093 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' B' ' 92' ' ' LYS . . . -76.2 -43.84 40.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.55 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 14.9 mm -72.41 -16.54 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.734 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -74.26 -46.44 41.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.706 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . 0.4 ' O ' ' CD2' ' B' ' 97' ' ' HIS . 11.7 t60 -75.83 -26.33 57.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.582 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -43.57 -24.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.349 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 C--N 1.33 -0.256 0 C-N-CA 120.738 -0.385 . . . . 1.0 111.167 -179.361 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.6 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.581 0.229 . . . . 1.0 111.3 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -58.82 -31.0 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 1.0 110.141 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 13' ' ' LEU . 13.8 t -70.75 -39.18 73.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.541 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.471 ' N ' HG23 ' A' ' 12' ' ' THR . 16.4 tp -56.27 -27.6 55.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.553 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -69.06 -61.23 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.339 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -53.55 -21.08 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.281 0.475 . . . . 1.0 112.281 -175.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.2 t -48.36 -50.24 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.546 -0.462 . . . . 1.0 110.911 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 18' ' ' GLU . 11.3 t -59.78 -40.41 88.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.838 -178.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' N ' HG23 ' A' ' 17' ' ' THR . 10.2 mm-40 -55.44 -20.78 13.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.651 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.4 mt -69.62 -70.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.012 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -44.14 -64.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.258 -177.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -42.51 -39.62 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.274 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.413 ' C ' HD12 ' A' ' 23' ' ' LEU . . . -63.46 -28.68 70.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.277 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 23' ' ' LEU . 10.1 mp -100.57 22.39 11.88 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 110.204 -0.295 . . . . 1.0 110.204 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.18 -75.19 0.26 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.281 -0.728 . . . . 1.0 111.281 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -44.8 138.72 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.898 0.38 . . . . 1.0 110.982 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.408 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 49.1 p90 -68.14 -40.73 82.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.923 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' CD2' ' A' ' 26' ' ' TYR . 64.0 t30 -45.71 -35.5 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.858 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -66.46 -34.39 77.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.962 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -69.25 -28.44 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 1.0 111.158 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.505 HH21 ' CD2' ' A' ' 49' ' ' LEU . 53.1 ttp180 -79.66 -38.55 33.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.744 0.306 . . . . 1.0 111.01 -178.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.2 mt -56.65 -26.68 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.033 -0.358 . . . . 1.0 110.033 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.636 ' SD ' HD23 ' A' ' 91' ' ' LEU . 34.8 ttm -81.99 -33.45 30.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.603 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.68 -45.96 87.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.186 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.466 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -68.74 -53.59 21.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.034 0.445 . . . . 1.0 110.41 -178.461 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.72 -29.34 70.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.69 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -55.55 -69.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.57 -177.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.5 p -52.99 -29.13 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.577 -0.283 . . . . 1.0 111.312 -176.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 t -160.24 145.32 14.85 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.925 -0.31 . . . . 1.0 110.626 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -73.42 155.25 39.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.522 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.37 152.78 26.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 1.0 110.877 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 t -86.86 163.57 17.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.017 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.563 HG13 ' N ' ' A' ' 43' ' ' GLY . 11.8 p -47.46 -46.15 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 1.0 110.705 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.563 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -64.86 -39.67 96.73 Favored Glycine 0 CA--C 1.527 0.793 0 C-N-CA 121.327 -0.463 . . . . 1.0 112.19 -176.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.527 ' O ' ' CE1' ' A' ' 47' ' ' HIS . 32.2 m170 -73.97 -36.59 64.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.973 0.387 . . . . 1.0 111.775 -176.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 tt -76.8 -13.74 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.614 -0.434 . . . . 1.0 110.439 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.9 m -56.02 -45.53 79.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.203 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 44' ' ' HIS . 4.4 p-80 -58.67 -11.16 2.81 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.711 -0.395 . . . . 1.0 110.769 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.508 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 0.4 OUTLIER -74.74 -42.73 57.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.117 179.75 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.505 ' CD2' HH21 ' A' ' 30' ' ' ARG . 31.9 mt -96.74 -30.78 13.01 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.333 179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 55.82 63.07 2.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.266 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.6 mt -143.22 -163.03 1.55 Allowed 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.118 -0.697 . . . . 1.0 109.118 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.5 t -71.69 126.76 30.54 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.919 -0.312 . . . . 1.0 110.237 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -52.65 -18.89 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.984 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.4 p -78.8 -20.13 50.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.745 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -72.97 -44.28 61.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.145 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 57' ' ' SER . 7.6 p -74.35 -38.95 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.016 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' HG13 ' A' ' 56' ' ' VAL . 53.4 p -60.57 -39.72 89.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.992 -178.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -73.24 -38.24 66.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.862 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -73.09 -32.77 65.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.075 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.28 -35.0 78.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.576 -0.284 . . . . 1.0 110.822 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.4 -35.79 80.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 1.0 110.627 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.6 tp -56.43 -32.7 65.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.427 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 mt -75.56 -25.31 56.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.044 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -69.91 -12.37 61.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.71 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.2 m -52.03 -61.26 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.935 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.3 m -88.81 27.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.944 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 55.7 33.3 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.162 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.1 tp -70.59 -16.21 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 1.0 110.656 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 70' ' ' LYS . 96.6 t -139.97 159.03 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.695 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.5 ' N ' HG12 ' A' ' 69' ' ' VAL . 31.3 ttmt -131.25 140.19 49.79 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.851 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.75 128.19 49.59 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.913 -177.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.52 ' CE ' ' NE2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -104.46 122.04 44.69 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 177.853 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -85.03 123.51 30.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 1.0 111.246 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.52 ' NE2' ' CE ' ' A' ' 72' ' ' LYS . 41.4 mm-40 -128.71 108.12 10.22 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.246 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.85 -87.07 0.02 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.16 -0.776 . . . . 1.0 111.16 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -143.28 -10.5 0.74 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.666 0.27 . . . . 1.0 110.429 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.7 t -87.54 131.71 34.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.295 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 41.3 mmm -92.59 89.02 6.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.096 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.682 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.8 mp -84.06 161.7 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.476 ' N ' HG22 ' A' ' 79' ' ' ILE . 75.3 m-85 -138.22 152.1 48.29 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.063 0.459 . . . . 1.0 110.62 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.492 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 5.7 t -151.7 180.0 7.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.061 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.492 ' N ' ' OG ' ' A' ' 81' ' ' SER . 23.6 mt -66.14 155.92 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.922 -0.311 . . . . 1.0 110.374 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -72.8 -38.42 67.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.399 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -159.23 -172.57 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.0 109.778 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.5 tt -79.61 -29.9 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 1.0 110.994 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -57.92 -15.84 10.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.983 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.9 t -70.27 -46.16 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 1.0 111.133 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.96 -15.0 62.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.061 -178.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.4 p -79.26 -65.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.986 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.442 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 11.3 ptt? -50.11 -45.47 52.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.219 -178.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.636 HD23 ' SD ' ' A' ' 32' ' ' MET . 0.3 OUTLIER -57.38 -63.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 1.0 110.64 -177.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -51.19 -62.49 1.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.145 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 93' ' ' GLN . 11.0 tm0? -51.28 -17.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.372 -177.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -64.58 -63.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 1.0 111.056 -178.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.4 pt -64.2 -16.98 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.134 -177.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -75.26 -39.52 59.75 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.221 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -52.03 -64.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.367 -0.533 . . . . 1.0 109.782 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.14 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.41 . . . . 1.0 109.975 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 1.0 109.973 177.606 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.9 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.702 0.287 . . . . 1.0 110.652 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 21.9 p-10 -60.61 -50.78 72.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 1.0 111.183 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.413 HG22 ' H ' ' B' ' 12' ' ' THR . 1.1 t -65.69 -23.49 66.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.832 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.481 ' O ' HD13 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -71.25 -48.81 48.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.403 -178.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -73.3 -9.87 59.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.649 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 19.0 tpt85 -83.56 -57.3 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.789 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.4 m -51.99 -12.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.361 -178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.1 m -85.51 -52.72 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 1.0 111.166 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.19 -26.46 62.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.615 -176.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.577 HG23 ' N ' ' B' ' 20' ' ' PHE . 13.6 tt -53.05 -46.96 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.724 -178.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.577 ' N ' HG23 ' B' ' 19' ' ' ILE . 64.8 m-85 -67.73 -52.97 31.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 1.0 110.559 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -50.32 -15.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.99 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' B' ' 20' ' ' PHE . . . -82.52 -3.97 56.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.417 -178.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.464 ' O ' HD12 ' B' ' 23' ' ' LEU . 1.7 pp -151.42 50.92 0.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.011 0.434 . . . . 1.0 110.723 -178.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.39 -74.51 0.94 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -42.9 146.96 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 1.0 111.175 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -79.66 -24.81 41.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.04 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -57.63 -43.09 84.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.491 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -69.79 -23.91 63.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.8 0.333 . . . . 1.0 110.769 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.4 mm -70.92 -30.86 43.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.812 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -67.06 -30.24 70.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.931 0.396 . . . . 1.0 110.43 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -72.72 -42.73 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.516 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 7.6 tpt -58.32 -38.88 78.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.699 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -62.73 -32.73 73.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.455 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.457 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -64.65 -54.44 31.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.136 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' B' ' 38' ' ' SER . 14.8 mt -44.07 -64.86 0.59 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.902 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' B' ' 37' ' ' VAL . 19.0 p -41.79 -56.1 2.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.409 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.424 ' N ' ' OG ' ' B' ' 36' ' ' SER . 98.2 t -49.38 -41.46 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.492 -179.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . 0.406 ' O ' ' O ' ' B' ' 35' ' ' LEU . 22.9 t -169.4 159.18 8.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.6 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' B' ' 39' ' ' GLU . 32.9 mp0 -80.07 147.16 31.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.206 179.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.41 145.06 18.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 1.0 110.764 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -81.05 171.72 14.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.195 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.573 HG13 ' N ' ' B' ' 43' ' ' GLY . 8.0 p -52.3 -49.06 43.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.782 -0.367 . . . . 1.0 110.679 -178.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.573 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -63.06 -52.44 47.73 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.716 -0.554 . . . . 1.0 111.716 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -52.24 -29.41 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.723 0.296 . . . . 1.0 111.185 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.2 mt -73.17 -24.42 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.406 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.435 ' O ' ' N ' ' B' ' 50' ' ' ASN . 19.5 p -53.52 -24.15 12.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.763 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -67.02 -11.74 57.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.997 0.427 . . . . 1.0 110.237 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.463 ' O ' ' ND2' ' B' ' 50' ' ' ASN . 7.2 tt0 -89.88 -56.15 3.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.398 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.574 ' N ' HD12 ' B' ' 49' ' ' LEU . 9.8 mp -78.02 -26.85 48.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.122 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' B' ' 48' ' ' GLN . 1.2 m-80 56.59 28.67 14.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.681 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.447 ' CG ' ' H ' ' B' ' 52' ' ' SER . 5.4 tp -117.33 -138.61 0.36 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.971 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.447 ' H ' ' CG ' ' B' ' 51' ' ' LEU . 13.6 t -85.99 153.3 22.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.611 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -82.25 -43.3 17.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.987 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 28.0 t -56.68 -31.21 64.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.826 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -57.43 -39.16 75.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.616 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 t -78.8 -30.98 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.684 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 9.8 t -62.37 -45.74 91.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.515 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -66.14 -61.99 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.535 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -48.91 -53.59 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.896 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.0 tp -49.67 -29.49 7.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.887 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -67.93 -32.27 72.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.856 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.572 HD12 ' N ' ' B' ' 62' ' ' LEU . 9.9 mp -68.34 -44.91 74.25 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.831 -0.348 . . . . 1.0 110.128 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.551 HD12 ' N ' ' B' ' 63' ' ' LEU . 10.0 mp -55.82 -24.49 36.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.182 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -71.33 -24.31 62.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.427 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.413 ' O ' ' CE1' ' B' ' 67' ' ' HIS . 43.4 t -46.91 -61.29 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.771 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 13.6 m -79.99 2.28 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.545 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.444 ' C ' ' N ' ' B' ' 69' ' ' VAL . 5.9 m-70 64.94 28.23 12.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.869 -0.605 . . . . 1.0 111.419 178.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 7.3 tp -48.09 -15.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 1.0 110.377 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.444 ' N ' ' C ' ' B' ' 67' ' ' HIS . 33.0 m -150.03 -175.86 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.693 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -151.65 115.92 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.352 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . 0.489 ' HB2' ' CD2' ' B' ' 80' ' ' TYR . . . -102.6 146.53 28.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.57 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -122.17 162.29 21.6 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.033 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.411 ' H ' ' HG2' ' B' ' 73' ' ' ARG . 35.7 ptt180 -96.37 139.2 32.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.874 0.369 . . . . 1.0 110.644 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -147.91 105.34 3.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.427 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.69 -91.13 0.32 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -148.42 15.36 1.0 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 1.0 110.592 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 47.5 m -121.72 130.07 53.18 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.353 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mtp -86.92 96.3 10.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.217 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.6 tt -81.45 148.12 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.826 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.489 ' CD2' ' HB2' ' B' ' 71' ' ' ALA . 94.2 m-85 -127.01 140.88 51.98 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.555 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 51.1 m -156.5 -174.95 5.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.359 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 16.7 mt -70.97 167.2 19.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.729 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -77.87 -56.59 4.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.631 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.443 ' O ' HG23 ' B' ' 85' ' ' ILE . 6.2 m-20 -155.24 -80.41 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.915 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.443 HG23 ' O ' ' B' ' 84' ' ' ASP . 19.1 pt -156.78 -28.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.252 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -57.06 -40.94 77.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.745 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.566 HG13 ' N ' ' B' ' 88' ' ' ALA . 12.8 p -64.27 -45.49 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.548 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.566 ' N ' HG13 ' B' ' 87' ' ' VAL . . . -62.13 -25.54 67.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.542 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 18.3 m -73.67 -54.7 7.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.668 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 20.4 ttt -50.6 -55.2 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.781 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.8 tp -47.59 -59.93 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.298 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -58.9 -62.1 2.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.779 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -39.86 -36.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.575 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.4 -69.05 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 1.0 110.741 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.6 tt -56.06 -19.05 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.08 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -73.46 -18.97 61.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.268 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . 0.467 ' C ' ' H ' ' B' ' 99' ' ' ASN . 74.6 t60 -71.69 -56.24 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.175 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.13 12.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.969 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' B' ' 99' ' ' ASN . 3.1 t30 . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.464 -0.335 . . . . 1.0 110.704 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.6 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.825 0.345 . . . . 1.0 110.349 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 11' ' ' ASP . 1.9 m-20 -81.22 -25.2 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.641 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.6 p -68.95 -61.11 1.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.582 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -53.4 -32.3 48.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.883 179.673 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -71.48 -24.98 62.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.286 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -90.22 -33.91 16.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.626 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.0 t -79.23 -23.59 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.274 -177.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.522 ' OG1' ' NZ ' ' A' ' 21' ' ' LYS . 9.3 t -77.54 -29.7 52.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.522 -0.308 . . . . 1.0 111.069 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' ' 18' ' ' GLU . 7.3 pt-20 -77.69 -17.67 57.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.147 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.62 -51.03 77.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.24 -0.584 . . . . 1.0 110.146 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -64.18 -59.64 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.78 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.522 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 58.4 mttp -47.54 -30.48 3.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.766 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.61 5.98 2.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.104 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' GLY . 54.4 mt -105.17 -7.68 18.88 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.352 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -54.64 -163.81 0.01 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 t70 61.29 95.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 1.0 110.589 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -49.89 -48.12 51.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.96 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -47.13 -34.01 5.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 1.0 111.099 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -77.44 -39.1 47.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.072 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.1 mt -57.06 -41.53 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.734 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -68.67 -30.89 69.68 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.836 -0.346 . . . . 1.0 110.41 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -75.38 -20.12 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 1.0 109.932 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -74.29 -36.82 63.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.903 178.287 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -60.72 -32.51 71.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.31 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.39 -42.19 92.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.344 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.2 mt -75.39 -6.43 49.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.611 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -78.44 -51.23 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.704 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.4 p -77.72 -31.81 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.766 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.6 p -172.13 140.24 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.753 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -52.59 175.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.306 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.5 147.23 20.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.787 0.327 . . . . 1.0 110.72 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 t -86.43 -169.55 2.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.81 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.17 -63.49 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.856 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.71 -38.1 94.6 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.483 -0.647 . . . . 1.0 111.483 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -48.26 -32.63 7.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.654 0.264 . . . . 1.0 111.236 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 48' ' ' GLN . 95.9 mt -67.43 -41.58 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.995 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' ASN . 85.3 p -45.54 -17.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.279 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' ILE . 64.0 t-80 -96.87 -25.88 15.28 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.781 0.324 . . . . 1.0 110.884 -179.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 45' ' ' ILE . 44.6 tp60 -66.12 -45.48 80.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.898 -177.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.492 ' O ' HD23 ' A' ' 49' ' ' LEU . 2.2 tt -166.72 -50.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.101 0.477 . . . . 1.0 110.148 -178.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 46' ' ' SER . 29.0 m120 -72.21 175.25 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.595 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -150.55 34.22 0.63 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.055 0.455 . . . . 1.0 109.926 -179.055 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -151.26 122.43 7.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.163 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -72.57 -20.62 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.868 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.5 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 48.6 m -77.57 -31.61 53.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.681 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -69.62 -45.89 67.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.845 -179.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 57' ' ' SER . 18.0 m -73.71 -37.07 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.896 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.419 ' N ' HG23 ' A' ' 56' ' ' VAL . 13.9 t -53.48 -38.14 63.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.976 0.417 . . . . 1.0 110.464 179.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.5 ' CE1' ' O ' ' A' ' 54' ' ' SER . 25.5 m170 -65.37 -51.8 57.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.549 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -50.77 -52.77 37.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.16 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mp -49.21 -27.72 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.223 -178.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -68.76 -42.41 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.797 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.589 ' N ' HD12 ' A' ' 62' ' ' LEU . 9.4 mp -61.23 -29.66 69.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.705 -179.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.64 -32.01 60.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.013 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -60.37 -37.78 81.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.327 . . . . 1.0 110.767 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.4 t -59.59 -57.67 11.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.605 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.436 HG22 ' H ' ' A' ' 66' ' ' VAL . 11.5 m -73.53 6.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.749 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 46.79 18.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.705 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.43 ' H ' HG23 ' A' ' 66' ' ' VAL . 45.8 tp -57.96 -15.87 10.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.481 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.3 m -147.23 176.29 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.589 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -148.62 124.35 10.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.246 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.76 160.76 14.3 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.746 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -149.32 115.33 5.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.982 -0.554 . . . . 1.0 109.999 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -60.63 148.5 38.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.22 0.533 . . . . 1.0 111.322 -175.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -153.5 81.88 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.28 -0.873 . . . . 1.0 109.877 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.17 -169.83 40.42 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.43 -1.068 . . . . 1.0 110.43 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -56.19 -17.43 7.32 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.988 -0.285 . . . . 1.0 111.071 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.4 m -98.37 141.49 31.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.772 0.32 . . . . 1.0 110.544 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -107.08 87.07 2.42 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.001 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.9 pt -91.22 159.78 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.571 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.406 ' O ' ' OG ' ' A' ' 81' ' ' SER . 36.5 p90 -146.45 -172.51 3.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.701 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 80' ' ' TYR . 17.5 m -167.94 -160.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.434 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 81' ' ' SER . 16.1 mt -59.28 -149.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.669 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -157.31 -18.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.798 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -171.34 168.95 6.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.324 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.0 pt -77.46 0.58 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.725 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -79.73 -30.26 40.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.771 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.4 t -66.93 -43.61 89.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.917 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.15 -39.43 82.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.011 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.4 p -75.78 -46.75 29.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.06 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 90' ' ' MET . 1.0 OUTLIER -46.2 -54.33 8.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.895 -178.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.5 tp -61.84 -46.07 91.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.034 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -61.43 -63.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.358 . . . . 1.0 110.841 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -42.31 -28.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.423 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 96' ' ' HIS . . . -71.91 -66.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.866 -0.334 . . . . 1.0 110.759 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.7 mm -50.6 -13.26 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.612 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . 0.44 ' N ' ' C ' ' A' ' 94' ' ' ALA . 7.9 t60 -73.16 -56.98 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.726 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -60.84 -21.29 63.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.726 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -42.46 -52.84 4.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.171 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 99' ' ' ASN . 26.7 t-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.494 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.6 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.727 0.299 . . . . 1.0 110.845 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -79.95 -61.62 1.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.329 179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 51.7 p -51.62 -17.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.351 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.416 ' O ' HG22 ' B' ' 16' ' ' VAL . 17.0 tp -71.5 -57.56 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.351 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' B' ' 17' ' ' THR . 5.7 tp10 -49.18 -17.63 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.764 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -75.29 -64.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 1.0 111.035 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . 0.416 HG22 ' O ' ' B' ' 13' ' ' LEU . 13.3 m -49.92 -20.29 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.036 -177.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 81.7 p -76.14 -29.56 57.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 1.0 110.451 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -70.74 -17.06 62.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.582 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.7 -46.69 93.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.356 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -67.86 -62.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.804 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -46.89 -30.58 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.607 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.49 7.32 1.89 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.866 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tp -130.74 15.3 5.35 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.11 0.481 . . . . 1.0 109.795 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.641 ' N ' HH21 ' B' ' 28' ' ' ARG . . . -91.1 70.3 2.03 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' B' ' 24' ' ' GLY . 55.7 m-20 -161.33 112.09 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.016 0.436 . . . . 1.0 110.57 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -43.23 -60.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.806 -0.633 . . . . 1.0 111.479 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.671 ' H ' HD22 ' B' ' 27' ' ' ASN . 0.6 OUTLIER -56.84 -30.36 63.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.734 -176.403 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.641 HH21 ' N ' ' B' ' 24' ' ' GLY . 25.7 ttp180 -72.02 -42.38 66.43 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.922 -0.311 . . . . 1.0 111.29 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 95.8 mt -58.17 -31.27 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.983 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.0 -34.47 57.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.032 0.444 . . . . 1.0 110.188 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.41 -32.3 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.36 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 6.8 mmt -74.33 -32.08 62.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.478 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -57.09 -35.6 69.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.465 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' B' ' 37' ' ' VAL . 13.6 tp -70.81 -51.88 23.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.419 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 49.7 mt -48.14 -23.07 0.75 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.31 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.4 p -78.53 -38.11 41.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.281 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 34' ' ' LEU . 55.4 t -82.65 -50.73 15.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.79 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 31.2 t -163.74 144.54 8.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.973 0.416 . . . . 1.0 111.251 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.58 165.98 13.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.661 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.528 ' O ' ' CZ ' ' B' ' 80' ' ' TYR . . . -156.07 156.01 33.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.567 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -94.82 178.07 5.7 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.88 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.66 -58.68 6.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.946 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.83 -37.11 89.88 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.266 -0.733 . . . . 1.0 111.266 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -75.49 -42.82 51.98 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.154 0.428 . . . . 1.0 112.154 -176.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 tp -72.47 -16.32 18.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.404 -0.518 . . . . 1.0 110.546 -177.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.434 ' O ' ' O ' ' B' ' 50' ' ' ASN . 50.8 m -63.69 -66.69 0.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.867 -0.333 . . . . 1.0 111.122 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -55.43 -16.25 3.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.946 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -88.07 3.19 49.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.018 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.47 -67.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.544 -0.462 . . . . 1.0 110.817 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 52' ' ' SER . 40.3 t30 -119.5 148.4 43.32 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.942 0.401 . . . . 1.0 110.838 -177.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.774 HD22 ' N ' ' B' ' 51' ' ' LEU . 1.2 mm? -80.88 -61.62 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.316 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.522 ' O ' ' ND2' ' B' ' 50' ' ' ASN . 31.2 t -59.27 131.18 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.844 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.504 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 19.4 mp0 -80.64 -37.86 30.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.635 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 16.9 t -54.56 -28.68 47.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.963 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -73.48 -46.06 50.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.621 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.22 -40.1 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.602 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.3 t -52.68 -32.7 43.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.319 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . 0.406 ' O ' ' ND1' ' B' ' 58' ' ' HIS . 21.8 t-80 -74.71 -33.86 62.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.81 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -68.29 -58.91 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.863 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.8 mt -50.06 -27.97 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.568 -0.287 . . . . 1.0 110.74 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -76.63 -47.11 23.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.505 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 61.1 tp -48.81 -46.53 41.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.103 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.3 -25.92 64.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.523 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -75.03 -10.2 59.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.018 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' B' ' 66' ' ' VAL . 60.7 p -63.17 -61.33 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.888 -0.596 . . . . 1.0 111.074 -179.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.421 ' N ' ' OG ' ' B' ' 65' ' ' SER . 4.9 t -66.77 -71.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.911 -177.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.12 18.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.449 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 mt -103.14 149.55 24.52 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.023 -0.362 . . . . 1.0 110.023 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.612 ' H ' ' CG ' ' B' ' 83' ' ' ASP . 5.4 t 64.98 141.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.137 -177.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -135.15 174.83 10.17 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.121 -0.49 . . . . 1.0 109.895 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.05 116.86 3.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.96 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -98.27 150.94 21.0 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.315 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -81.61 118.55 22.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.002 0.429 . . . . 1.0 110.633 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -153.02 107.48 3.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 79.81 -166.38 50.43 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -77.39 30.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.716 0.293 . . . . 1.0 110.657 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . 0.444 ' H ' ' C ' ' B' ' 75' ' ' GLY . 37.3 m -158.73 174.15 15.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.583 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 19.1 mmt -113.03 116.03 29.28 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.31 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 10.5 tp -87.05 152.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 110.136 -0.32 . . . . 1.0 110.136 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.528 ' CZ ' ' O ' ' B' ' 40' ' ' ALA . 23.1 p90 -142.97 172.32 12.85 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.716 0.293 . . . . 1.0 110.431 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' B' ' 82' ' ' LEU . 27.3 t -169.04 -161.16 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.973 0.416 . . . . 1.0 111.095 -178.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.404 ' N ' ' OG ' ' B' ' 81' ' ' SER . 17.6 tp -58.64 147.41 32.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.687 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . 0.612 ' CG ' ' H ' ' B' ' 69' ' ' VAL . 5.0 m-20 -63.95 -95.86 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.684 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -100.72 -88.69 0.36 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.433 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 tt -174.77 -29.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.554 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -68.0 0.96 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.729 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 6.9 m -85.42 -33.27 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.226 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.52 -41.55 93.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.274 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 52.8 p -65.82 -36.5 83.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.312 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 3.6 mmt -67.69 -33.78 75.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.297 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.3 tp -63.88 -58.34 7.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.735 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' B' ' 93' ' ' GLN . 8.3 ptmm? -64.48 -54.29 34.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.77 -178.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' B' ' 92' ' ' LYS . 1.4 tm0? -43.88 -30.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.164 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.21 -69.36 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 1.0 111.168 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 13.4 tt -53.91 -18.64 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.908 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -76.82 -48.36 18.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.526 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -61.47 -11.4 10.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.597 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.68 -77.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.309 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.49 179.048 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 11' ' ' ASP . 12.6 t . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.73 0.3 . . . . 1.0 110.742 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 12' ' ' THR . 44.0 p30 -71.13 -21.17 62.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.647 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.482 ' N ' ' OD1' ' A' ' 11' ' ' ASP . 71.0 m -76.52 -58.17 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.532 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -44.83 -33.93 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.303 179.685 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -70.04 -49.26 53.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.982 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 17' ' ' THR . 85.0 mtm180 -62.41 -58.1 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.41 -177.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.6 m -45.61 -12.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 1.0 111.404 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 15' ' ' ARG . 10.8 m -88.25 -38.34 15.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.81 0.338 . . . . 1.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -76.9 -26.12 53.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.755 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.476 HG23 ' N ' ' A' ' 20' ' ' PHE . 10.6 tp -60.74 -40.66 85.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.601 -0.44 . . . . 1.0 110.471 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.476 ' N ' HG23 ' A' ' 19' ' ' ILE . 70.5 m-85 -65.4 -63.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.455 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -49.49 -11.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.076 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' A' ' 20' ' ' PHE . . . -54.42 -38.26 66.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.084 -178.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 23' ' ' LEU . 7.2 mp -70.48 -80.97 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 1.0 110.287 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.86 -116.5 4.26 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.406 -0.677 . . . . 1.0 111.406 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.506 ' CG ' HD21 ' A' ' 27' ' ' ASN . 18.8 p30 -59.3 163.77 3.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.03 0.443 . . . . 1.0 111.259 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -87.32 -23.34 24.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.81 -0.632 . . . . 1.0 111.945 -177.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.609 ' H ' HD22 ' A' ' 27' ' ' ASN . 0.2 OUTLIER -70.91 -41.13 71.64 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.869 -0.332 . . . . 1.0 111.77 -175.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.01 -48.23 71.85 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.814 -0.355 . . . . 1.0 110.954 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.4 tt -60.75 -19.37 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.824 -0.351 . . . . 1.0 110.538 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -70.69 -30.72 67.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.069 0.461 . . . . 1.0 109.947 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.0 mt -67.53 -29.24 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.054 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.7 mmt -69.82 -31.26 69.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.369 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.17 -64.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.306 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -49.07 -54.63 15.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.158 0.504 . . . . 1.0 109.694 178.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -48.48 -47.71 38.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.365 179.498 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.8 t -43.77 -39.92 4.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.915 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.1 t -61.53 -63.53 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.45 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.3 t -148.76 152.74 37.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.779 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -50.01 159.01 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.299 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' ' CZ ' ' A' ' 80' ' ' TYR . . . -157.23 143.54 17.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.787 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.2 p -97.34 170.25 9.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.325 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.0 t -45.62 -49.18 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.62 -44.68 96.64 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 121.254 -0.498 . . . . 1.0 112.201 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -68.43 -36.63 79.33 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.385 0.513 . . . . 1.0 112.385 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.5 pt -69.57 -23.6 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.286 -0.565 . . . . 1.0 110.64 -177.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 50' ' ' ASN . 10.1 t -49.97 -41.0 45.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 1.0 110.665 179.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -53.76 -11.33 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.713 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' A' ' 46' ' ' SER . 7.9 tp-100 -79.94 -57.4 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.931 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.2 mt -107.48 -29.54 9.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.45 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 46' ' ' SER . 7.9 t-20 64.09 34.17 11.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.935 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 mt -97.49 -157.41 0.59 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.305 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t -74.77 136.12 41.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.565 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -67.24 -18.11 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.685 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.1 t -79.86 -27.15 40.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.644 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -75.45 -44.29 45.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.885 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 57' ' ' SER . 23.0 m -68.37 -38.19 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.751 -178.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 56' ' ' VAL . 20.2 p -59.51 -65.65 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.572 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -41.58 -34.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 1.0 111.138 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -67.59 -52.58 36.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.713 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 tp -45.37 -30.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.692 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -71.37 -40.62 70.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.909 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.18 -43.12 96.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.904 -178.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.14 -24.43 65.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.477 -0.328 . . . . 1.0 110.912 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -67.52 -20.68 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.543 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 67' ' ' HIS . 75.7 m -63.31 -57.87 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.794 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.6 m -69.39 9.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.51 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.482 ' H ' ' C ' ' A' ' 65' ' ' SER . 1.4 m-70 54.37 18.84 2.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.679 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.7 tp -65.22 -13.42 58.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.108 0.48 . . . . 1.0 110.011 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -151.14 179.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.221 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.472 ' NZ ' ' CB ' ' A' ' 70' ' ' LYS . 8.8 mtmp? -143.79 174.01 11.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.147 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.75 159.79 40.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.617 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -148.49 161.34 41.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.247 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 51.5 ttt85 -97.25 146.22 25.32 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.192 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 75' ' ' GLY . 19.9 tt0 -150.44 77.91 1.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.4 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 76' ' ' GLN . . . 31.84 103.02 0.01 OUTLIER Glycine 0 CA--C 1.526 0.776 0 CA-C-N 115.635 -0.711 . . . . 1.0 112.823 177.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 24.3 tp60 88.02 -60.1 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 122.704 0.402 . . . . 1.0 111.29 176.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.1 p -115.42 150.51 36.29 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.874 0.368 . . . . 1.0 110.699 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -113.75 98.86 7.29 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.268 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.711 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.7 mp -78.24 162.14 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.159 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.519 ' N ' HG22 ' A' ' 79' ' ' ILE . 11.2 p90 -149.62 174.68 12.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.358 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 m -162.3 -169.72 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.638 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.573 ' N ' HD12 ' A' ' 82' ' ' LEU . 9.2 mp -61.4 -106.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.354 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -159.05 -95.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.019 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -96.4 -75.23 0.54 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.188 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -178.16 -26.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.018 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -54.64 -62.29 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.462 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.5 m -45.38 -34.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.235 -176.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.55 -52.62 54.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 1.0 110.815 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.412 ' OG1' ' OE1' ' B' ' 93' ' ' GLN . 52.3 p -57.63 -39.95 78.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.89 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.5 ttm -45.64 -46.65 14.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.762 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.5 tp -57.56 -44.6 85.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.19 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.54 -61.27 2.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.274 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -44.93 -20.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.589 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.99 -64.26 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.968 -178.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.616 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.6 mp -61.97 -5.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.633 -0.506 . . . . 1.0 109.633 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -75.63 -47.48 26.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.516 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -61.14 -60.59 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.463 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.26 -31.55 6.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.627 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 51.3 t30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.915 -179.317 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 63.8 p . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.851 0.357 . . . . 1.0 110.581 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -71.73 -63.73 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.704 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.0 t -61.66 -28.82 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.77 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.0 tp -52.73 -59.03 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.57 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -67.11 -19.64 65.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.244 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -65.85 -20.81 66.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.653 -0.419 . . . . 1.0 110.052 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 95.7 t -67.06 -23.6 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.334 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 72.4 p -86.03 -31.52 21.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.621 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.03 -37.38 87.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.429 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . 0.436 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 20.2 pt -76.92 -32.42 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.205 178.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -70.1 -60.63 2.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.165 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -52.28 -21.85 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.509 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -47.16 -27.47 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.993 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -73.31 -72.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.613 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.22 -105.9 1.17 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.33 -0.708 . . . . 1.0 111.33 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -47.17 143.24 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 1.0 110.984 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.515 ' CE1' ' OD1' ' B' ' 27' ' ' ASN . 18.3 p90 -79.1 -27.59 42.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.682 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.515 ' OD1' ' CE1' ' B' ' 26' ' ' TYR . 5.2 m120 -56.22 -34.32 66.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.558 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -67.26 -24.25 65.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.696 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 44.6 mm -77.05 -29.21 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.899 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -67.24 -31.66 72.16 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.182 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 8.3 mm -65.27 -45.57 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.185 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 34.6 ttm -56.94 -39.86 75.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.733 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -59.32 -35.31 73.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.644 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.86 -60.93 2.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.279 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 mt -50.02 -21.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.55 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.455 ' OG ' ' N ' ' B' ' 37' ' ' VAL . 14.0 p -68.36 -57.43 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.903 0.382 . . . . 1.0 110.4 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.455 ' N ' ' OG ' ' B' ' 36' ' ' SER . 19.8 t -55.8 -40.58 62.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.383 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 52.7 p -170.04 147.17 3.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.407 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.568 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 14.3 mp0 -62.53 164.59 7.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 1.0 110.638 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.13 142.48 17.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.418 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.503 ' OG ' ' CD2' ' B' ' 44' ' ' HIS . 62.4 p -83.93 -177.25 6.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.539 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.473 ' O ' HG22 ' B' ' 45' ' ' ILE . 96.1 t -63.46 -60.92 2.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.741 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.89 -25.31 9.39 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.472 -0.651 . . . . 1.0 111.472 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.503 ' CD2' ' OG ' ' B' ' 41' ' ' SER . 17.5 m170 -75.27 -11.62 60.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.066 -0.253 . . . . 1.0 111.192 -178.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . 0.473 HG22 ' O ' ' B' ' 42' ' ' VAL . 9.3 tp -70.47 -26.11 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.968 0.413 . . . . 1.0 110.846 -178.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -57.69 -17.38 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.13 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -78.98 -24.92 43.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.304 . . . . 1.0 110.751 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.5 ' NE2' ' N ' ' B' ' 48' ' ' GLN . 3.3 mp0 -88.52 -57.71 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.925 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 15.0 mt -98.16 -47.78 5.35 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.252 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 61.26 63.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.921 -0.399 . . . . 1.0 109.921 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 17.4 tp -134.71 -70.91 0.49 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.595 -177.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 70.6 m -157.43 133.06 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.47 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -74.67 -41.19 60.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 1.0 110.629 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.7 m -57.7 -34.51 69.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.664 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -63.63 -43.4 96.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.463 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 85.2 t -70.81 -35.84 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.901 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.1 p -59.18 -34.83 72.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 1.0 110.551 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -78.98 -34.89 43.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.763 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -75.79 -51.11 13.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.93 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.529 HD13 ' O ' ' B' ' 60' ' ' LEU . 0.2 OUTLIER -51.28 -34.84 34.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.02 0.438 . . . . 1.0 110.04 -179.719 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -67.85 -35.57 78.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.911 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.09 -27.43 69.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.397 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.9 mt -79.33 -23.78 43.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.615 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -66.35 -31.84 72.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.543 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 89.5 p -51.6 -60.76 2.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.49 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.542 ' O ' HG22 ' B' ' 66' ' ' VAL . 2.6 p -67.2 0.31 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.254 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 41.8 m80 55.5 21.39 4.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.859 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.415 ' H ' HG13 ' B' ' 66' ' ' VAL . 37.0 tp -59.24 -13.04 6.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.175 0.512 . . . . 1.0 109.739 178.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -147.73 177.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.116 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -154.38 132.69 11.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.489 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.83 156.72 17.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.418 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -118.25 139.2 51.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.096 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . 0.407 ' H ' ' HG3' ' B' ' 73' ' ' ARG . 2.2 ppt_? -88.75 128.31 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.341 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -152.67 88.58 1.35 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.255 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.13 -153.4 32.3 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -81.92 9.44 8.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.548 0.213 . . . . 1.0 110.906 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 53.0 m -129.45 150.12 50.94 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.924 0.392 . . . . 1.0 110.52 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -119.71 148.37 43.47 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.222 179.806 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 77.6 mt -124.28 147.66 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.11 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -118.53 150.05 40.29 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.623 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 13.4 m -159.17 -171.38 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.281 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 22.0 mt -74.22 158.68 33.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.494 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -66.66 -49.4 66.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.622 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -157.29 -164.55 1.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.346 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 16.4 pt -86.99 9.86 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.802 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -81.06 -73.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.708 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.0 m -45.97 -21.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.013 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.49 -61.48 2.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.716 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 71.3 m -62.65 -24.48 67.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.768 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' B' ' 90' ' ' MET . 8.5 tmm? -64.2 -57.52 9.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.428 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 30.0 tp -49.59 -40.81 40.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.43 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.22 -60.84 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.412 ' OE1' ' OG1' ' A' ' 89' ' ' THR . 8.4 tt0 -49.47 -20.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.07 -177.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.37 -67.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.735 0.303 . . . . 1.0 110.811 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.5 tt -52.02 -15.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.338 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -74.27 -42.03 60.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.437 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -65.54 -18.3 65.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.357 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.54 -72.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.494 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.344 179.022 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.825 0.345 . . . . 1.0 110.447 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -80.92 -18.49 46.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.45 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.8 m -76.61 -67.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.676 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 13' ' ' LEU . 7.8 mp -50.4 -23.2 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 1.0 109.917 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -65.68 -55.73 15.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.403 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.5 ttm105 -66.61 -46.05 77.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.758 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 19' ' ' ILE . 66.0 t -49.8 -16.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.764 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.2 m -91.71 -33.15 15.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.548 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -81.21 -20.46 41.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.156 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.536 HG23 ' N ' ' A' ' 20' ' ' PHE . 18.2 tt -59.35 -45.82 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.841 -0.343 . . . . 1.0 110.446 -179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.536 ' N ' HG23 ' A' ' 19' ' ' ILE . 72.7 m-85 -70.22 -52.34 23.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.356 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -43.54 -35.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.289 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.57 -25.2 67.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.306 -0.407 . . . . 1.0 111.394 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.553 ' N ' HD12 ' A' ' 23' ' ' LEU . 7.0 mp -93.04 20.17 7.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.347 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.68 -55.47 6.6 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -46.71 109.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 1.0 110.77 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -50.0 -42.22 48.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.186 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 24.1 p30 -67.02 -30.3 70.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.356 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.513 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 37.8 ttm180 -72.02 -44.64 63.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.455 -177.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.7 pt -67.53 -24.04 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.642 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -68.96 -29.17 67.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.668 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 mm -65.91 -66.45 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.767 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -43.87 -39.71 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.071 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -53.38 -48.61 68.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.656 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.0 tp -57.49 -49.09 77.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.18 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 35' ' ' LEU . 9.7 mp -63.23 -8.02 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.467 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.525 ' OG ' ' N ' ' A' ' 37' ' ' VAL . 6.5 p -74.33 -61.67 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.428 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.525 ' N ' ' OG ' ' A' ' 36' ' ' SER . 18.1 t -63.81 -40.94 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.392 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 m -159.34 134.57 8.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.19 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.567 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 3.8 mp0 -49.2 175.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.374 . . . . 1.0 110.693 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.3 137.4 12.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.363 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.425 ' O ' ' CD1' ' A' ' 45' ' ' ILE . 90.0 p -84.62 -162.51 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.63 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.1 t -80.66 -64.73 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.61 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.01 -44.45 95.88 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.172 -0.537 . . . . 1.0 111.832 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -48.32 -28.06 2.91 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.758 -0.26 . . . . 1.0 111.45 -177.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' GLN . 86.8 mt -75.65 -34.64 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.885 -0.326 . . . . 1.0 110.932 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -44.43 -39.29 4.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.706 0.288 . . . . 1.0 111.111 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.543 ' N ' ' ND1' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -75.56 -19.85 59.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.919 -178.786 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' ILE . 86.3 mm-40 -77.74 -57.36 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.0 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -86.79 -7.33 58.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.87 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.419 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 1.7 m-20 50.59 79.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.213 -178.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 tp -172.32 -153.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.1 p -84.48 153.31 23.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.808 0.337 . . . . 1.0 110.293 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.625 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 3.5 pm0 -82.31 -17.36 46.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.894 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.9 p -76.55 -25.58 54.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.633 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.434 ' O ' ' OE1' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -62.3 -44.11 97.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.886 -179.177 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -77.15 -33.25 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.731 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 p -54.27 -33.81 59.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.415 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 61' ' ' LYS . 38.3 m-70 -74.78 -54.13 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.823 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.618 ' NE2' ' N ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -47.26 -42.33 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.219 -179.067 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.87 -19.48 61.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.552 -0.294 . . . . 1.0 110.772 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' HIS . 78.2 tttt -68.8 -42.41 77.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 1.0 110.347 179.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.4 tt -61.86 -55.12 33.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.202 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 mt -48.98 -34.58 13.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.741 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -58.88 -34.58 71.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.535 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.9 t -71.58 -52.02 20.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.536 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.0 t -67.36 -9.88 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.418 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.463 ' C ' ' N ' ' A' ' 69' ' ' VAL . 47.2 m-70 59.85 10.04 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.973 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.8 tp -47.6 -17.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.98 0.419 . . . . 1.0 110.231 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.463 ' N ' ' C ' ' A' ' 67' ' ' HIS . 33.7 m -147.87 -178.93 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.377 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -130.76 174.02 10.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.209 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.47 159.34 38.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.332 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -137.08 147.04 45.84 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.381 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -90.88 133.6 35.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.492 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -149.33 102.6 3.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.186 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 70.46 -165.77 51.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.458 -1.057 . . . . 1.0 110.458 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.82 14.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 1.0 110.539 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 75' ' ' GLY . 44.6 t -120.6 136.14 54.9 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.373 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.482 ' SD ' ' OH ' ' A' ' 80' ' ' TYR . 16.6 ttt -97.91 99.61 10.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.24 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.4 mm -81.5 152.45 4.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.063 0.459 . . . . 1.0 111.008 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.482 ' OH ' ' SD ' ' A' ' 78' ' ' MET . 70.7 m-85 -133.21 149.67 52.01 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.749 -0.659 . . . . 1.0 109.952 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 m -159.56 -171.35 3.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.515 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.608 ' N ' HD12 ' A' ' 82' ' ' LEU . 8.6 mp -83.66 178.13 8.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.145 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -79.14 -105.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.342 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -107.92 -65.85 1.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.012 0.434 . . . . 1.0 110.256 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.7 tt -170.01 -24.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.573 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -49.4 -34.08 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.602 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 88' ' ' ALA . 33.6 m -77.1 -40.19 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.752 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -59.06 -61.51 2.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.649 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 34.3 m -47.84 -38.3 15.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.794 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.1 ttt -55.54 -42.63 74.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.746 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.5 tp -60.75 -51.3 69.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.436 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -60.78 -61.37 2.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.815 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' B' ' 86' ' ' HIS . 45.0 tt0 -39.61 -33.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.701 -178.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.35 -66.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.319 . . . . 1.0 111.076 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.6 mm -54.83 -15.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.755 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -76.32 -38.49 55.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.865 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -80.96 -20.13 42.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.9 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.33 -70.69 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.826 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.482 HD21 HH22 ' B' ' 15' ' ' ARG . 5.6 m120 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.056 -178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.6 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.816 0.341 . . . . 1.0 110.593 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' B' ' 11' ' ' ASP . 5.2 m-20 -78.18 -39.38 40.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.511 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -61.8 -34.37 75.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.568 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . 0.567 ' N ' HD12 ' B' ' 13' ' ' LEU . 7.0 mp -70.8 -25.28 62.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.07 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -76.39 -37.5 57.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.722 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . 0.482 HH22 HD21 ' A' ' 99' ' ' ASN . 56.8 mtm180 -67.84 -57.04 6.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.914 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 29.5 m -46.28 -35.17 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.706 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 15.0 m -62.74 -39.19 93.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.755 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -63.09 -30.35 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.725 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 mm -71.09 -31.26 44.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.059 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -80.94 -65.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.531 -0.304 . . . . 1.0 111.29 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -48.03 -25.76 1.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.705 -0.398 . . . . 1.0 110.807 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.24 -28.6 69.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.935 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 mt -80.68 0.09 35.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.616 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.44 179.84 0.05 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.85 121.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.84 0.352 . . . . 1.0 110.579 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -67.81 -11.17 57.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.805 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -70.62 -43.54 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.939 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -73.04 -22.58 60.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.948 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 5.9 mm -73.27 -36.64 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.986 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -77.05 -34.61 57.18 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.905 -0.318 . . . . 1.0 110.953 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.38 -25.71 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.301 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 30.6 tpp -74.97 -30.09 61.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.504 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -59.79 -35.46 74.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.487 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.469 ' CD2' ' N ' ' B' ' 34' ' ' LEU . 3.4 mm? -67.0 -55.04 16.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.324 179.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.74 -13.49 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.764 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' B' ' 37' ' ' VAL . 11.8 p -81.64 -59.49 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.857 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.485 ' N ' ' OG ' ' B' ' 36' ' ' SER . 32.1 m -67.18 -38.49 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.031 -178.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . 0.423 ' N ' HG23 ' B' ' 37' ' ' VAL . 28.1 t -169.45 147.73 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.863 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.65 164.31 23.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.614 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.2 153.37 29.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.439 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . 0.41 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 87.8 p -93.18 169.61 10.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.355 179.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 93.6 t -56.19 -55.55 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.965 0.412 . . . . 1.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.1 -37.48 92.89 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.731 -0.747 . . . . 1.0 111.288 -178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.41 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 0.5 OUTLIER -72.94 -39.35 66.29 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.329 0.492 . . . . 1.0 112.329 -175.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 20.9 tt -76.48 -16.06 14.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.469 -0.492 . . . . 1.0 110.968 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.406 ' O ' ' N ' ' B' ' 50' ' ' ASN . 91.0 p -60.48 -28.0 68.01 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.701 -0.4 . . . . 1.0 110.497 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -70.28 -13.5 62.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.482 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -89.56 -54.1 4.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.358 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.593 HD22 ' N ' ' B' ' 49' ' ' LEU . 3.4 mm? -77.34 -37.29 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.043 -0.355 . . . . 1.0 110.043 178.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' B' ' 46' ' ' SER . 44.9 t-20 56.61 67.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.385 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' B' ' 52' ' ' SER . 15.3 tp -174.15 107.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.336 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.43 ' C ' ' O ' ' B' ' 51' ' ' LEU . 41.8 t 5.61 112.71 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.729 1.268 . . . . 1.0 113.934 -177.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -38.76 -38.82 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.657 -0.702 . . . . 1.0 111.641 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 17.3 t -44.08 -32.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.924 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -68.11 -42.83 79.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.843 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 89.8 t -74.31 -40.6 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.969 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 18.7 m -49.25 -35.03 16.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.951 0.405 . . . . 1.0 110.386 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -74.77 -58.15 3.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.875 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -42.4 -57.57 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.386 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.507 HD12 ' N ' ' B' ' 60' ' ' LEU . 7.6 mp -59.74 -22.91 62.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.931 -178.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -68.75 -40.76 79.66 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.69 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . 0.547 HD12 ' N ' ' B' ' 62' ' ' LEU . 9.9 mp -64.34 -48.11 76.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.486 -0.324 . . . . 1.0 110.196 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 16.1 mt -56.36 -35.55 67.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -55.07 -41.06 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.759 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 25.1 p -63.22 -51.89 64.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.601 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.6 t -66.73 -5.84 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.482 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 27.0 m80 57.37 13.01 1.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.799 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.469 HD13 ' O ' ' B' ' 68' ' ' LEU . 0.2 OUTLIER -56.68 -15.45 4.53 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.459 -0.571 . . . . 1.0 109.459 179.739 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.4 m -153.11 -173.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.893 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -155.95 174.79 14.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 1.0 110.854 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -147.55 169.48 19.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.056 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -148.88 160.28 43.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.917 0.389 . . . . 1.0 110.915 -178.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -91.41 138.46 31.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.894 -0.594 . . . . 1.0 109.646 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -152.91 89.2 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 1.0 110.689 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 69.95 56.6 7.92 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 54.26 7.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.311 . . . . 1.0 110.628 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . 0.474 ' H ' ' C ' ' B' ' 75' ' ' GLY . 8.5 t -113.68 109.61 18.86 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.428 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.33 137.99 32.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.409 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.8 pt -138.83 160.78 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.077 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -118.11 147.85 42.89 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.918 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 56.5 m -153.41 -177.97 6.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.059 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.416 ' C ' HD12 ' B' ' 82' ' ' LEU . 0.3 OUTLIER -81.1 179.39 7.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.84 0.352 . . . . 1.0 110.507 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.6 -69.24 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.179 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -146.03 -71.54 0.25 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.976 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 pt -155.25 -35.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.451 -0.34 . . . . 1.0 110.405 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.515 ' O ' ' NE2' ' A' ' 93' ' ' GLN . 14.7 m170 -47.82 -47.04 31.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.619 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.46 -46.44 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.649 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.93 -46.43 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.866 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 8.6 m -62.36 -31.3 71.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.571 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 55.1 ttm -61.41 -31.28 71.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.553 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.36 -46.45 76.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.336 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' B' ' 92' ' ' LYS . 3.3 mptp? -72.5 -62.57 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.396 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -37.35 -35.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.752 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.77 -66.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.66 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.8 mm -59.74 -10.86 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.58 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -76.43 -47.16 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.935 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -77.73 -12.39 59.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.78 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.15 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.518 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.233 178.842 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.782 0.325 . . . . 1.0 110.864 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.18 -36.39 77.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.993 0.425 . . . . 1.0 110.439 179.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' GLU . 70.2 p -72.55 -54.6 8.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.605 -179.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.5 tp -39.98 -26.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.084 -179.074 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' THR . 51.5 mt-10 -80.39 -47.17 14.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.56 179.177 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' THR . 49.8 mtm180 -73.89 -21.36 60.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.037 -178.566 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.452 ' O ' HG22 ' A' ' 19' ' ' ILE . 76.8 t -71.87 -28.59 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.903 -178.785 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 17' ' ' THR . 2.2 t -91.48 -31.31 16.02 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.667 0.27 . . . . 1.0 110.957 -179.549 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.53 -15.44 62.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.495 -0.32 . . . . 1.0 111.024 -178.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 20' ' ' PHE . 13.5 tt -68.42 -41.98 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 1.0 110.619 -179.214 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.455 ' N ' HG23 ' A' ' 19' ' ' ILE . 45.0 m-85 -74.6 -55.61 5.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.03 -178.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -46.09 -40.64 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.036 -178.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.82 -21.48 4.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.852 -178.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -95.83 13.53 26.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.868 -179.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.27 70.97 1.81 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -165.82 107.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.752 0.31 . . . . 1.0 110.26 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 27.4 p90 -43.63 -44.93 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.073 -179.266 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.537 ' N ' ' CD2' ' A' ' 26' ' ' TYR . 3.9 t-20 -52.24 -32.58 37.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.953 -179.392 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.43 ' HE ' ' NE2' ' A' ' 59' ' ' GLN . 12.3 tpp85 -75.79 -52.05 11.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.401 -177.556 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.593 HD12 ' N ' ' A' ' 29' ' ' ILE . 1.9 mp -46.2 -40.35 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.895 -0.322 . . . . 1.0 110.501 -177.199 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.523 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 26.9 ttm105 -72.33 -33.11 67.1 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.717 -0.393 . . . . 1.0 111.083 -177.769 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.9 mt -72.65 -39.14 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.368 178.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.461 ' SD ' HD13 ' A' ' 91' ' ' LEU . 9.6 ttt -64.34 -39.06 93.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.701 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.71 -33.98 68.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.993 0.425 . . . . 1.0 110.354 179.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' C ' HD23 ' A' ' 34' ' ' LEU . 2.2 tt -67.7 -65.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.369 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.7 mt -47.36 -16.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.73 -178.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 34' ' ' LEU . 5.5 p -69.88 -50.67 40.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.356 . . . . 1.0 110.187 178.906 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.1 t -66.31 -61.58 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.474 179.109 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.6 m -147.0 154.14 40.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.827 -178.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.571 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 13.7 mp0 -62.48 168.26 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.702 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.12 144.6 18.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.536 179.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 m -81.41 168.71 18.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.254 178.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -54.76 -56.81 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.794 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.29 -34.42 87.96 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.698 -0.561 . . . . 1.0 111.698 -177.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.523 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 7.1 t-80 -59.44 -26.88 65.57 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.749 -0.381 . . . . 1.0 110.819 -178.181 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.4 mt -74.33 -23.11 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.884 -179.055 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 50' ' ' ASN . 63.6 m -56.63 -11.84 1.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.925 -0.31 . . . . 1.0 111.306 -178.071 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.586 ' ND1' ' N ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -92.77 -17.29 24.35 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.829 0.347 . . . . 1.0 110.785 -178.865 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.586 ' N ' ' ND1' ' A' ' 47' ' ' HIS . 59.5 tt0 -72.67 -56.0 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.03 -178.019 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.445 HD23 HD22 ' A' ' 27' ' ' ASN . 33.2 tp -161.28 -33.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.407 -178.77 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 46' ' ' SER . 4.3 m120 -83.17 168.09 17.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.168 179.012 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.637 ' H ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -150.63 32.08 0.64 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.098 0.475 . . . . 1.0 110.983 -177.748 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.8 t -149.2 97.59 2.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.346 177.413 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -50.37 -22.04 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.137 -178.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -80.29 -37.64 32.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.107 -178.592 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -68.9 -41.72 77.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.246 -177.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.3 m -72.78 -31.12 35.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.909 -0.316 . . . . 1.0 110.8 -178.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.4 m -58.51 -66.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 1.0 110.437 179.211 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' A' ' 58' ' ' HIS . 2.5 m-70 -45.59 -35.19 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.43 ' NE2' ' HE ' ' A' ' 28' ' ' ARG . 41.3 tt0 -66.15 -63.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.709 -179.168 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.2 mt -48.67 -24.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.693 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -70.24 -38.02 75.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.686 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.63 -32.94 73.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.163 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.4 mp -73.41 -24.88 60.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.264 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -62.06 -34.39 76.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.55 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.1 t -69.13 -31.14 69.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.505 179.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 t -78.87 3.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 7.7 m80 67.49 10.45 7.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.466 178.005 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.431 ' O ' ' OD2' ' A' ' 83' ' ' ASP . 66.8 mt -75.93 -112.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.431 179.459 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.422 ' H ' HG13 ' A' ' 69' ' ' VAL . 7.9 m -46.56 164.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 1.0 110.898 -179.107 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -151.77 142.07 22.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.008 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.85 141.07 36.28 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.923 0.392 . . . . 1.0 110.851 -178.278 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -102.28 129.4 48.69 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.186 178.296 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -82.23 114.39 20.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.851 -179.655 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 76' ' ' GLN . 92.8 mt-30 -122.75 134.85 54.43 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.182 179.319 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.69 70.61 0.02 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.178 -0.769 . . . . 1.0 111.178 -179.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 74' ' ' GLN . 9.2 pt20 174.68 -57.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.492 -0.559 . . . . 1.0 109.492 177.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.9 t -154.26 179.46 8.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.799 -179.425 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.2 ptt? -114.2 144.64 42.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.145 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.0 pt -138.94 161.84 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.234 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -122.83 156.5 34.43 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.181 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 42.3 t -158.97 -166.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.503 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.426 ' N ' ' OG ' ' A' ' 81' ' ' SER . 20.6 mt -78.99 162.14 26.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.797 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 68' ' ' LEU . 1.2 m-20 -79.68 -63.22 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.575 179.858 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.497 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 19.7 t0 -165.22 -165.65 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.2 -179.384 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.497 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 26.8 pt -76.83 26.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.3 . . . . 1.0 110.931 -179.255 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.436 ' H ' ' C ' ' A' ' 84' ' ' ASP . 11.4 m-70 -111.83 -36.76 5.33 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.863 0.363 . . . . 1.0 110.415 -179.665 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 88' ' ' ALA . 14.9 p -86.54 -36.11 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.802 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.428 ' N ' HG13 ' A' ' 87' ' ' VAL . . . -63.11 -38.57 91.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.857 -178.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.5 p -76.53 -33.49 58.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.696 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 42.9 ttp -69.15 -35.62 76.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.873 -178.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.461 HD13 ' SD ' ' A' ' 32' ' ' MET . 54.8 tp -64.72 -52.45 57.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.3 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.96 -57.0 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.831 -179.22 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -43.42 -27.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.05 -178.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.45 -66.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 1.0 110.681 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.1 mt -57.23 -27.75 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.396 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -55.88 -51.18 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.485 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -51.76 -59.82 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.559 179.643 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.72 -56.75 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.691 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.711 -179.505 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 75.4 p . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.9 0.381 . . . . 1.0 110.536 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -66.44 -35.64 80.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.443 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.5 p -76.09 -46.0 31.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.816 -179.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 18.0 tp -52.79 -16.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.365 -179.19 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.21 -44.77 12.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.332 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.53 -49.69 76.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.294 -178.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 15.1 m -47.11 -20.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.968 -177.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 8.6 p -91.31 -39.0 12.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.794 0.331 . . . . 1.0 110.841 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -68.53 -22.65 64.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.669 -176.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 pt -73.1 -29.25 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.612 -0.435 . . . . 1.0 110.91 -178.621 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -76.26 -63.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.324 . . . . 1.0 110.851 -179.672 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -49.74 -23.67 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.875 -179.205 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.3 -31.1 42.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.235 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.428 ' C ' HD12 ' B' ' 23' ' ' LEU . 1.7 pp -119.06 39.13 3.62 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.71 0.29 . . . . 1.0 110.937 -178.636 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.49 -72.32 0.78 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.124 -0.79 . . . . 1.0 111.124 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -45.27 140.84 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 1.0 110.825 -179.351 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -66.19 -11.03 47.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.88 -178.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -84.08 -44.21 14.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 1.0 111.152 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.405 ' HA ' ' HE ' ' B' ' 28' ' ' ARG . 0.0 OUTLIER -69.59 -29.86 67.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.593 -178.306 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 14.0 tt -79.73 -27.73 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.902 -0.319 . . . . 1.0 111.108 -178.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -71.15 -32.9 69.52 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.06 -0.256 . . . . 1.0 111.022 -178.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 19.3 pt -74.76 -29.76 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.062 179.252 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' B' ' 32' ' ' MET . 0.6 OUTLIER -71.8 -40.24 69.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.293 179.041 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -58.48 -35.16 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.806 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 28.7 tp -66.22 -41.88 89.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.475 -179.241 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 36.5 mt -69.15 -9.45 52.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -80.47 -42.43 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.356 . . . . 1.0 110.247 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -81.39 -37.01 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.716 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 74.5 m -168.54 152.25 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.788 -179.559 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -70.65 161.58 30.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.785 -179.905 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.19 147.38 20.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.634 -179.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.4 m -82.06 165.95 20.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.526 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 46.2 t -54.28 -55.59 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.915 -179.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.58 -26.9 67.22 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.057 -0.817 . . . . 1.0 111.057 -179.11 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' HIS . . . . . 0.431 ' ND1' ' O ' ' B' ' 44' ' ' HIS . 62.1 t-80 -72.99 -20.58 61.0 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.057 -0.257 . . . . 1.0 111.053 -178.802 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 93.8 mt -84.69 -27.87 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.6 0.238 . . . . 1.0 110.688 -179.645 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.497 ' O ' ' N ' ' B' ' 50' ' ' ASN . 93.5 p -48.22 -44.36 33.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 1.0 110.864 -179.008 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -57.88 -15.15 7.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.875 -179.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -84.0 -49.8 8.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.59 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 71.9 mt -137.29 49.19 2.02 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.499 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' B' ' 46' ' ' SER . 64.1 t30 39.81 -123.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.644 177.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mp 48.36 -168.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.651 -0.499 . . . . 1.0 109.651 -178.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 63.7 m -151.75 176.23 11.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.01 0.433 . . . . 1.0 111.054 -178.284 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.41 ' O ' ' OG ' ' B' ' 57' ' ' SER . 9.9 tt0 -46.87 -37.09 8.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.604 -0.726 . . . . 1.0 111.3 -178.687 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.0 p -54.86 -54.42 42.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 1.0 111.035 -178.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -75.82 -40.15 55.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.141 -178.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.79 -42.18 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.363 -177.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' B' ' 53' ' ' GLN . 89.9 p -61.68 -29.89 70.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 1.0 110.594 -179.403 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -43.65 32.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.252 179.196 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.25 -47.8 80.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.43 179.038 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.523 HD13 ' O ' ' B' ' 60' ' ' LEU . 0.2 OUTLIER -54.9 -35.47 64.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.327 -179.724 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -58.86 -31.98 69.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.98 -44.3 69.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.538 HD12 ' N ' ' B' ' 63' ' ' LEU . 7.7 mp -61.48 -35.45 77.68 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.103 -0.332 . . . . 1.0 110.103 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -55.44 -46.04 76.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.578 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.3 t -53.0 -47.94 67.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.604 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.439 HG23 ' H ' ' B' ' 66' ' ' VAL . 3.3 t -62.22 -6.12 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.332 179.685 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . 0.493 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 56.5 t-80 61.67 14.7 6.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.294 -179.73 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tp -79.11 -13.46 59.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.538 -179.276 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.523 HG12 ' N ' ' B' ' 70' ' ' LYS . 56.1 t -141.9 159.94 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 120.883 0.373 . . . . 1.0 110.75 -178.816 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.523 ' N ' HG12 ' B' ' 69' ' ' VAL . 87.2 tttt -138.51 152.91 48.67 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.123 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.71 119.74 39.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.865 0.364 . . . . 1.0 110.683 -178.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -97.51 119.89 36.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.311 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 63.8 mtt85 -80.0 110.88 15.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.552 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -137.33 93.18 2.78 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.118 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.43 -155.57 53.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.519 -1.032 . . . . 1.0 110.519 -178.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -73.42 -8.18 54.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 1.0 110.631 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 90.3 p -97.37 133.84 41.44 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.764 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 75.4 mtp -97.94 91.04 5.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.258 178.831 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 44.7 mt -82.54 145.05 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.986 0.422 . . . . 1.0 110.888 -178.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -120.47 153.78 36.15 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.01 178.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 13.2 m -161.15 -166.54 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.703 -179.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 22.2 mt -78.55 166.06 23.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.518 -179.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.42 -42.04 17.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.981 -179.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 84' ' ' ASP . . . . . 0.478 ' O ' HG23 ' B' ' 85' ' ' ILE . 52.4 m-20 -158.31 -81.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.774 0.321 . . . . 1.0 111.538 -178.358 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.478 HG23 ' O ' ' B' ' 84' ' ' ASP . 18.5 pt -158.51 -34.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.44 -179.669 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -50.67 -31.08 15.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.817 -178.139 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 6.9 t -65.13 -45.65 93.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.741 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.06 -60.4 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.969 -178.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 72.6 p -45.75 -22.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.057 -178.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 90' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' B' ' 90' ' ' MET . 1.6 tmt? -74.38 -65.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.749 -178.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.5 tp -49.99 -30.69 11.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.948 -178.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -66.58 -69.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.151 -178.429 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -53.45 -17.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.651 -176.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.36 -64.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 1.0 110.856 -179.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 69.9 mt -56.01 -18.25 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.496 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.92 -35.96 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.852 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -61.59 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.529 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -43.01 -76.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.807 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 99' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.306 178.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.618 ' O ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.373 -0.602 . . . . 3.48 109.373 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 10' ' ' THR . 0.5 OUTLIER -53.79 -31.27 48.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 2.31 110.626 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -63.29 -43.09 98.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 2.81 110.618 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.935 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.3 p -63.15 -51.24 67.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 2.03 110.579 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 13' ' ' LEU . 2.9 tp -52.27 -34.52 46.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.93 110.594 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -71.95 -39.72 69.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 2.92 110.607 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.459 ' C ' ' N ' ' A' ' 17' ' ' THR . 1.7 ttm180 -68.27 -49.69 58.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 3.32 110.593 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.935 HG23 ' O ' ' A' ' 12' ' ' THR . 2.6 t -47.14 -16.26 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 1.39 110.574 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.459 ' N ' ' C ' ' A' ' 15' ' ' ARG . 96.1 m -91.34 -36.8 13.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 1.57 110.604 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.76 -27.76 67.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 2.79 110.575 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 3.2 mt -56.35 -64.45 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 1.55 110.61 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.632 ' O ' ' N ' ' A' ' 23' ' ' LEU . 89.2 m-85 -50.61 -64.26 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 1.71 110.622 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 23' ' ' LEU . 12.8 tttt -37.45 -46.04 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 2.98 110.607 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -56.5 -3.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 1.19 110.619 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.676 ' O ' ' O ' ' A' ' 24' ' ' GLY . 30.8 mt -110.42 -8.19 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 1.82 110.558 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.676 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -33.86 -107.66 0.0 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.922 -0.871 . . . . 2.15 110.922 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.644 ' C ' ' O ' ' A' ' 24' ' ' GLY . 23.8 m-20 -16.3 123.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 2.34 110.606 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' ILE . 3.7 p90 -74.36 -34.88 63.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 4.38 110.591 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.655 HD21 ' CD2' ' A' ' 49' ' ' LEU . 56.2 t-20 -41.69 -39.3 1.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 2.37 110.61 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.648 ' CZ ' HD21 ' A' ' 63' ' ' LEU . 9.8 ttm180 -74.84 -35.91 62.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 4.27 110.649 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' TYR . 5.1 mm -50.33 -43.5 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 1.79 110.579 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 1.059 HH21 HD11 ' A' ' 49' ' ' LEU . 8.3 ttp180 -63.66 -48.01 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 3.41 110.624 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 75.3 mt -53.96 -35.86 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 1.15 110.587 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.38 -36.77 83.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 2.52 110.601 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -64.73 -35.68 81.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 2.22 110.617 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.007 HD12 ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -64.56 -55.69 18.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 1.94 110.583 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.8 mt -56.55 -35.0 67.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 1.84 110.597 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.4 t -54.69 -50.65 67.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 1.61 110.617 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.09 -41.25 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 1.46 110.625 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.25 134.84 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 1.69 110.62 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.496 ' H ' ' HG2' ' A' ' 39' ' ' GLU . 0.3 OUTLIER -45.65 169.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 2.53 110.554 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -159.79 151.26 19.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.93 110.604 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -86.58 172.61 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 1.38 110.58 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.4 t -58.3 -65.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.58 110.614 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.24 -31.19 62.04 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.848 -0.901 . . . . 0.96 110.848 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -61.46 -43.32 99.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.348 . . . . 2.9 110.59 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 46' ' ' SER . 14.3 mt -62.81 -32.14 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 1.88 110.604 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 1.167 ' O ' ' CA ' ' A' ' 50' ' ' ASN . 17.5 t -39.14 -36.9 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 1.86 110.641 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 48' ' ' GLN . 1.0 OUTLIER -58.69 -61.58 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 3.66 110.628 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.581 ' NE2' ' CD2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -36.19 -72.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 2.62 110.645 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.059 HD11 HH21 ' A' ' 30' ' ' ARG . 0.8 OUTLIER -105.0 -17.81 14.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 2.61 110.61 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 1.167 ' CA ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER 47.46 169.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 5.2 110.554 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 1.056 ' HB2' ' O ' ' A' ' 50' ' ' ASN . 1.2 mp 136.87 -117.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 3.15 110.606 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.509 ' H ' ' HB3' ' A' ' 51' ' ' LEU . 39.5 t -121.38 125.72 47.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 2.04 110.561 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -54.2 -35.62 62.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 2.72 110.618 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.66 -27.33 62.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 1.93 110.571 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -74.14 -41.7 61.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 2.45 110.65 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.1 t -69.54 -46.22 76.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 1.85 110.652 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.8 p -53.8 -46.65 71.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 1.52 110.559 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.32 -48.58 73.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 2.56 110.568 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.709 ' O ' ' N ' ' A' ' 62' ' ' LEU . 1.1 tt0 -60.98 -69.21 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 2.5 110.641 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.816 ' CD2' ' CE2' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -35.85 -29.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 1.66 110.596 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 59' ' ' GLN . 22.3 tttp -72.0 -30.83 65.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 2.87 110.615 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.709 ' N ' ' O ' ' A' ' 59' ' ' GLN . 1.1 tp -73.02 -47.06 48.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 2.22 110.584 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.653 ' HB2' HG21 ' A' ' 69' ' ' VAL . 7.9 mt -63.56 -24.54 67.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 1.42 110.587 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -70.75 -23.93 62.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 2.15 110.631 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 7.8 t -78.63 -25.86 45.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 1.89 110.639 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.643 ' O ' ' HB2' ' A' ' 67' ' ' HIS . 3.7 t -83.12 -17.95 10.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 1.61 110.567 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.643 ' HB2' ' O ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER 80.83 25.42 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 3.42 110.619 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.77 -26.46 17.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 2.06 110.608 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -121.51 165.31 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 1.67 110.608 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.2 130.43 17.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 2.79 110.611 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.31 148.17 30.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 1.16 110.569 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -133.06 159.0 41.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 3.7 110.619 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -98.42 135.87 39.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 4.08 110.62 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -149.09 86.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 2.32 110.591 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.93 -108.03 2.94 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.848 -0.901 . . . . 1.97 110.848 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -125.76 11.05 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.784 0.326 . . . . 4.02 110.613 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.1 t -130.04 131.49 45.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 1.8 110.614 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.534 ' H ' ' HG3' ' A' ' 78' ' ' MET . 0.0 OUTLIER -87.6 117.02 26.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 3.1 110.598 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -100.52 142.1 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 1.77 110.623 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.816 ' CE2' ' CD2' ' A' ' 60' ' ' LEU . 24.9 m-85 -106.69 -173.98 2.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 3.66 110.611 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.728 ' HB3' ' O ' ' A' ' 80' ' ' TYR . 0.3 OUTLIER 160.4 160.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 1.33 110.599 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 82' ' ' LEU . 1.7 mt -54.33 170.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 2.05 110.619 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.658 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 41.1 t0 -89.03 -48.52 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 3.02 110.61 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.658 ' OD1' ' O ' ' A' ' 83' ' ' ASP . 75.0 m-20 -148.94 -151.81 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 2.43 110.568 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.447 ' H ' ' HB3' ' A' ' 84' ' ' ASP . 1.5 pt -103.39 8.74 9.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 2.28 110.595 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -83.19 -39.54 20.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.22 110.607 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -65.91 -41.5 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 1.76 110.578 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.34 -58.53 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.93 110.573 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.528 ' OG1' ' OE1' ' B' ' 93' ' ' GLN . 3.6 p -54.63 -56.02 23.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 1.69 110.628 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' THR . 0.8 OUTLIER -38.43 -59.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 2.38 110.651 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.644 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 7.0 tp -48.75 -49.07 40.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.77 110.626 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.662 ' O ' ' N ' ' A' ' 94' ' ' ALA . 15.2 mttm -59.78 -76.36 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 3.07 110.63 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.497 ' C ' ' O ' ' A' ' 92' ' ' LYS . 0.6 OUTLIER -31.59 -29.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 2.37 110.6 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.662 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -63.0 -57.78 9.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.73 110.572 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 92' ' ' LYS . 2.4 mm -64.3 -23.72 34.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 1.7 110.569 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -70.41 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 2.77 110.624 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -49.47 -42.37 42.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.8 110.619 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.85 -46.91 86.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 1.08 110.586 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 1.031 ' O ' ' HD2' ' A' ' 101' ' ' PRO . 0.4 OUTLIER -101.95 78.06 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 2.57 110.628 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.656 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 0.5 OUTLIER -95.6 40.06 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 2.65 110.639 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 1.039 ' O ' ' O ' ' A' ' 102' ' ' LYS . 56.9 Cg_endo -74.12 10.77 1.35 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.817 2.345 . . . . 4.11 112.316 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 1.232 ' C ' ' OE1' ' A' ' 103' ' ' GLU . 0.0 OUTLIER 17.92 -165.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 6.96 110.614 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 1.232 ' OE1' ' C ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.009 -0.996 . . . . 8.8 110.623 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 29.5 m120 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.408 -0.59 . . . . 3.29 109.408 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 78.1 p -45.06 -30.73 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 2.46 110.574 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -55.22 37.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 2.64 110.615 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.562 ' O ' HG23 ' B' ' 16' ' ' VAL . 80.6 p -58.3 -51.18 70.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 2.12 110.603 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' B' ' 13' ' ' LEU . 1.0 OUTLIER -45.72 -48.06 15.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 1.86 110.608 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.588 ' O ' ' OG1' ' B' ' 17' ' ' THR . 9.0 tt0 -57.6 -39.34 76.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 2.63 110.593 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.938 ' O ' ' N ' ' B' ' 17' ' ' THR . 4.0 mtm-85 -64.78 -73.53 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 3.95 110.594 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.576 ' C ' ' O ' ' B' ' 15' ' ' ARG . 0.1 OUTLIER -24.84 -25.14 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 1.59 110.566 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.938 ' N ' ' O ' ' B' ' 15' ' ' ARG . 0.0 OUTLIER -82.01 -40.36 22.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 1.61 110.595 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.77 ' N ' ' O ' ' B' ' 15' ' ' ARG . 1.5 tt0 -63.93 -26.76 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 2.73 110.572 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.803 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 1.5 mt -59.47 -64.32 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 1.73 110.618 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.649 ' O ' ' N ' ' B' ' 22' ' ' ALA . 74.0 m-85 -49.75 -74.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 1.57 110.586 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' B' ' 20' ' ' PHE . 0.0 OUTLIER -35.53 -23.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 2.9 110.633 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.803 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -71.12 -3.86 22.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 1.03 110.574 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.935 ' O ' ' O ' ' B' ' 24' ' ' GLY . 6.2 mt -114.26 -10.29 12.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 1.74 110.601 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.935 ' O ' ' O ' ' B' ' 23' ' ' LEU . . . -18.88 -122.23 0.0 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.883 -0.887 . . . . 1.89 110.883 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.782 ' O ' ' O ' ' B' ' 24' ' ' GLY . 70.4 m-20 -12.76 139.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.797 0.332 . . . . 2.16 110.629 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.951 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 0.0 OUTLIER -81.86 -26.33 34.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 4.27 110.623 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.664 ' H ' ' HD1' ' B' ' 26' ' ' TYR . 11.9 t30 -46.49 -40.55 12.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 2.53 110.588 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -73.78 -45.07 53.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 3.15 110.596 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 6.2 mt -46.51 -33.11 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 1.46 110.638 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.67 -45.29 53.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 3.09 110.607 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 84.1 mt -55.53 -36.86 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 1.08 110.585 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . 0.718 ' HE3' HD23 ' B' ' 68' ' ' LEU . 0.0 OUTLIER -67.94 -44.07 77.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 2.5 110.635 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.622 ' O ' HG23 ' B' ' 37' ' ' VAL . 11.6 tt0 -59.15 -28.27 66.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 2.11 110.625 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 1.324 ' O ' HD12 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -74.6 -39.33 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 2.04 110.588 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 63.6 mt -71.26 -35.78 71.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 1.47 110.637 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.499 ' HA ' HD11 ' B' ' 82' ' ' LEU . 0.2 OUTLIER -57.59 -47.42 82.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 1.84 110.592 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.622 HG23 ' O ' ' B' ' 33' ' ' GLU . 7.0 t -64.54 -42.35 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 1.66 110.585 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 14.9 t -171.18 138.99 1.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 1.45 110.606 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.495 ' H ' ' HG2' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -55.5 165.53 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 2.48 110.631 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -158.83 152.13 22.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.8 110.598 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.03 -176.29 6.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 1.58 110.63 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 6.5 t -68.43 -55.25 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 1.5 110.602 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.474 ' O ' ' OG ' ' B' ' 46' ' ' SER . . . -63.49 -38.93 97.08 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -54.14 -42.11 69.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.782 0.325 . . . . 3.12 110.599 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.585 ' O ' ' N ' ' B' ' 48' ' ' GLN . 0.2 OUTLIER -59.27 -36.1 61.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 2.15 110.586 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.768 ' O ' ' HA ' ' B' ' 50' ' ' ASN . 73.0 p -40.69 -34.79 0.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 1.72 110.612 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -30.03 70.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 3.5 110.638 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 1.012 ' HA ' ' OE1' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -64.87 -77.52 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 3.01 110.601 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' B' ' 50' ' ' ASN . 13.9 mt -92.84 -21.7 19.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 2.53 110.612 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 1.042 ' O ' ' HG ' ' B' ' 51' ' ' LEU . 27.7 t-20 54.8 130.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 4.54 110.633 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 1.042 ' HG ' ' O ' ' B' ' 50' ' ' ASN . 1.5 mt 166.24 -130.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 2.92 110.604 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.58 ' O ' ' HB2' ' B' ' 55' ' ' ASN . 0.4 OUTLIER -106.46 120.41 41.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 2.01 110.58 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.404 ' H ' ' HG3' ' B' ' 53' ' ' GLN . 10.3 mt-30 -47.06 -42.1 18.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 2.74 110.622 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' B' ' 58' ' ' HIS . 7.2 p -53.4 -29.27 34.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 1.51 110.597 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.58 ' HB2' ' O ' ' B' ' 52' ' ' SER . 0.9 OUTLIER -68.96 -46.75 67.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 2.4 110.589 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 37.8 t -67.73 -50.77 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 1.31 110.562 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -27.6 39.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 1.56 110.606 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . 0.43 ' HB2' ' O ' ' B' ' 54' ' ' SER . 3.4 t-80 -73.32 -54.07 9.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 3.1 110.624 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.491 ' O ' ' N ' ' B' ' 62' ' ' LEU . 1.0 OUTLIER -63.38 -54.27 39.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 2.19 110.603 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.721 ' CD2' ' CE2' ' B' ' 80' ' ' TYR . 11.9 tp -43.81 -21.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.77 110.612 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' B' ' 59' ' ' GLN . 13.7 ttmt -78.6 -35.66 45.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 2.65 110.569 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' B' ' 59' ' ' GLN . 17.1 mt -65.05 -46.82 79.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 2.11 110.633 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.414 ' HB3' ' CG2' ' B' ' 69' ' ' VAL . 1.5 mt -62.87 -19.21 63.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 1.71 110.591 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -79.05 -21.32 47.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 2.39 110.577 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.0 t -73.94 -26.63 60.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 1.59 110.592 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.906 ' O ' ' HB2' ' B' ' 67' ' ' HIS . 2.0 t -85.96 -24.76 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 1.72 110.585 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.906 ' HB2' ' O ' ' B' ' 66' ' ' VAL . 44.7 m80 92.61 6.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 3.5 110.569 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.718 HD23 ' HE3' ' B' ' 32' ' ' MET . 0.1 OUTLIER -66.5 -34.93 79.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 2.16 110.601 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' B' ' 63' ' ' LEU . 0.0 OUTLIER -116.95 168.33 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 1.65 110.597 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -146.84 148.32 31.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 2.93 110.573 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.3 153.75 30.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.03 110.566 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -136.62 169.14 18.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 3.17 110.626 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 73' ' ' ARG . 24.7 mtt180 -112.44 135.18 53.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 4.1 110.627 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.14 82.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 2.22 110.645 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.411 ' O ' ' HG2' ' B' ' 76' ' ' GLN . . . 83.28 -86.75 1.49 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.87 -0.892 . . . . 2.09 110.87 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' B' ' 75' ' ' GLY . 6.1 mt-30 -148.34 10.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 3.12 110.648 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.17 126.42 50.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 1.9 110.624 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -82.66 107.81 15.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 2.81 110.622 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.63 143.01 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 1.9 110.594 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.721 ' CE2' ' CD2' ' B' ' 60' ' ' LEU . 25.5 m-85 -113.71 153.97 28.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 2.94 110.57 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.88 172.75 15.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 1.48 110.576 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.499 HD11 ' HA ' ' B' ' 36' ' ' SER . 15.8 mt -65.44 172.6 3.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 1.79 110.603 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.21 -42.56 13.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 3.48 110.617 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.47 ' HB3' ' H ' ' B' ' 85' ' ' ILE . 9.3 m-20 -162.93 -146.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 3.06 110.592 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.47 ' H ' ' HB3' ' B' ' 84' ' ' ASP . 0.8 OUTLIER -107.35 15.74 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 2.19 110.599 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -91.43 -43.67 9.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 2.02 110.561 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.449 ' H ' HG22 ' B' ' 87' ' ' VAL . 0.0 OUTLIER -64.21 -44.64 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 1.71 110.586 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.47 -54.45 26.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.89 110.588 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -54.94 41.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 1.56 110.612 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 13.3 ttt -42.42 -59.15 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 1.96 110.616 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 5.2 tp -50.5 -44.98 56.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 1.72 110.594 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -61.78 -73.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 2.97 110.632 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.528 ' OE1' ' OG1' ' A' ' 89' ' ' THR . 0.4 OUTLIER -33.67 -46.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 2.52 110.609 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -46.86 -64.06 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.76 110.62 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.44 ' O ' ' CG2' ' B' ' 95' ' ' ILE . 0.9 OUTLIER -62.12 -12.91 8.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 1.65 110.616 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -75.97 -46.93 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 2.44 110.608 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -72.37 -44.16 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 1.01 110.627 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.64 -43.87 72.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 1.44 110.595 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.924 ' O ' ' HD3' ' B' ' 101' ' ' PRO . 37.9 t30 -104.17 83.22 2.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 3.33 110.58 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -93.5 87.73 0.32 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 2.69 110.568 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.924 ' HD3' ' O ' ' B' ' 99' ' ' ASN . 56.9 Cg_endo -74.12 72.45 4.05 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.823 2.349 . . . . 4.15 112.331 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 1.431 ' O ' ' CG ' ' B' ' 103' ' ' GLU . 0.0 OUTLIER -45.94 -138.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 7.25 110.601 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . 1.431 ' CG ' ' O ' ' B' ' 102' ' ' LYS . 1.4 pt-20 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.029 -0.986 . . . . 7.71 110.64 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.354 -0.61 . . . . 1.0 109.354 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.2 p -86.12 -26.17 25.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.581 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -76.0 -54.22 7.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.464 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.2 p -60.69 -23.25 64.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.516 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.3 tp -61.4 -65.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.505 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' O ' ' OE1' ' A' ' 18' ' ' GLU . 40.1 mm-40 -51.08 -26.77 6.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.389 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -63.49 -33.12 74.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 1.0 110.36 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.0 t -51.31 -27.3 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.401 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.517 ' O ' ' N ' ' A' ' 19' ' ' ILE . 43.7 p -73.8 -63.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.363 179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.567 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 2.2 mp0 -37.54 -25.27 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.616 -177.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 17' ' ' THR . 58.2 mt -57.9 -49.18 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.395 -0.522 . . . . 1.0 110.358 179.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -68.9 -56.69 7.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.991 0.424 . . . . 1.0 110.746 -179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -50.41 -36.48 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.521 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.88 17.0 20.58 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.616 -0.265 . . . . 1.0 111.622 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 23' ' ' LEU . 1.1 tt -75.7 -48.44 21.94 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.479 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.98 151.88 5.83 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -82.15 178.31 8.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.908 0.385 . . . . 1.0 110.629 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -41.41 -67.97 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.974 -0.557 . . . . 1.0 111.534 -179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -49.6 -26.68 3.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.398 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.413 ' NH2' ' CD ' ' A' ' 59' ' ' GLN . 20.5 mmt180 -75.66 -21.24 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.809 -0.356 . . . . 1.0 110.771 -179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.2 mm -71.55 -36.19 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.376 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.6 ttt85 -64.96 -29.6 70.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.344 . . . . 1.0 110.394 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 82.4 mt -78.59 -41.73 25.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.493 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.4 ttt -52.25 -32.47 37.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.355 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -71.26 -38.56 71.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.29 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -63.23 -62.8 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.282 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 54.0 mt -46.5 -32.5 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.727 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.6 p -60.37 -33.37 72.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 1.0 110.352 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.8 t -77.71 -38.86 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.776 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.1 p -173.49 153.57 2.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.0 111.037 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -74.27 164.7 26.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.596 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.4 158.95 36.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.912 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.51 ' OG ' ' CD2' ' A' ' 44' ' ' HIS . 93.3 p -88.41 166.71 14.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.529 179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.7 t -56.3 -55.05 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.977 -179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.73 -35.03 91.49 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.381 -0.688 . . . . 1.0 111.381 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.51 ' CD2' ' OG ' ' A' ' 41' ' ' SER . 12.2 m170 -73.12 -39.25 65.91 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.69 0.256 . . . . 1.0 111.69 -177.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 15.3 tt -82.85 -13.74 12.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.757 0.313 . . . . 1.0 110.757 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.3 m -54.48 -37.73 65.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.9 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -71.31 -12.59 61.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.888 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -60.62 -57.47 12.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.334 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 tt -173.53 56.14 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.528 ' O ' ' N ' ' A' ' 52' ' ' SER . 7.6 m120 -156.25 -13.85 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.433 -0.348 . . . . 1.0 110.938 -178.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.611 HD22 ' H ' ' A' ' 51' ' ' LEU . 3.0 mm? 41.93 -89.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.849 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 50' ' ' ASN . 90.1 p -55.04 132.77 47.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.404 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -63.28 -47.29 82.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.113 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 p -45.11 -27.47 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.386 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -68.28 -43.45 77.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.425 -177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.4 t -74.59 -38.94 46.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.981 -0.288 . . . . 1.0 111.16 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.9 t -59.15 -60.82 3.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.759 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -53.82 -41.31 67.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.901 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.413 ' CD ' ' NH2' ' A' ' 28' ' ' ARG . 38.1 tp60 -67.13 -54.55 20.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.333 -0.394 . . . . 1.0 111.289 -178.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.5 tp -52.11 -27.09 12.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.878 -177.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -68.41 -39.67 81.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.613 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -62.27 -35.65 79.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.63 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.2 mt -74.1 -32.74 63.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.598 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -64.98 -21.44 66.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.849 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.456 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 30.8 p -60.42 -60.93 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.767 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 66' ' ' VAL . 3.3 p -69.27 -1.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.647 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.456 ' CD2' ' O ' ' A' ' 65' ' ' SER . 6.6 m170 66.55 23.26 10.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.782 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 tp -73.38 -13.51 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.856 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.7 t -135.33 155.42 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.927 -0.578 . . . . 1.0 110.179 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' A' ' 70' ' ' LYS . 9.2 mtmp? -124.88 172.82 9.06 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.184 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.69 153.16 26.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.506 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 49.7 pttt -149.12 161.53 41.78 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.317 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 6.3 ptp85 -93.44 135.71 34.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.3 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -153.08 112.98 3.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.489 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 50.65 58.6 8.95 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.21 -0.756 . . . . 1.0 111.21 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 54.45 12.31 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.554 0.216 . . . . 1.0 111.285 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.5 t -123.4 133.58 54.07 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.865 0.364 . . . . 1.0 110.418 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.562 ' N ' ' SD ' ' A' ' 78' ' ' MET . 1.9 mpt? -93.25 99.15 11.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.82 -179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.7 mt -101.57 148.68 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.45 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.487 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 8.6 p90 -146.35 -177.42 5.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.008 0.433 . . . . 1.0 110.899 -178.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.7 p -172.25 -159.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.369 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 83' ' ' ASP . 17.7 mt -86.63 168.13 13.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.81 0.338 . . . . 1.0 110.303 178.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.444 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 26.0 t0 -60.98 -123.75 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.232 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 2.8 m-20 -86.82 -145.96 0.12 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.795 0.331 . . . . 1.0 110.632 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.3 pt -94.68 6.54 7.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.436 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.437 ' C ' ' N ' ' A' ' 88' ' ' ALA . 20.9 m170 -71.86 -83.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.971 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.4 m -45.98 -18.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.615 -0.266 . . . . 1.0 110.849 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.437 ' N ' ' C ' ' A' ' 86' ' ' HIS . . . -69.32 -62.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.932 0.396 . . . . 1.0 110.715 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.8 m -58.11 -48.77 79.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.515 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.571 ' N ' ' SD ' ' A' ' 90' ' ' MET . 0.0 OUTLIER -53.07 -26.93 17.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.333 179.514 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.481 ' C ' HD23 ' A' ' 91' ' ' LEU . 3.4 tt -59.24 -59.18 5.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.108 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -63.69 -55.51 22.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.928 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -49.59 -29.73 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.324 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.85 -63.63 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.755 0.312 . . . . 1.0 110.73 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.4 tt -59.29 -12.53 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.576 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -80.0 -50.3 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.453 178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -62.56 -13.1 27.28 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.465 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.43 ' O ' ' OD1' ' A' ' 99' ' ' ASN . . . -75.13 -22.63 58.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.674 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.43 ' OD1' ' O ' ' A' ' 98' ' ' ALA . 35.8 m-20 -145.11 63.65 1.28 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.098 -0.501 . . . . 1.0 109.922 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.585 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 4.3 t60 -71.44 -36.1 4.41 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.579 -178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' ' 100' ' ' HIS . 53.6 Cg_exo -53.59 142.01 61.55 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 121.827 1.685 . . . . 1.0 112.076 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 101' ' ' PRO . 18.8 ttpp 57.8 127.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.145 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.05 -0.976 . . . . 1.0 110.545 179.638 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.346 -0.612 . . . . 1.0 109.346 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 14.1 m -89.65 -65.52 1.01 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.484 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -37.8 -34.59 0.11 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.677 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 16.8 p -53.81 -67.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.62 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.584 ' N ' HD12 ' B' ' 13' ' ' LEU . 8.8 mp -67.07 -53.6 29.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.427 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -41.31 -26.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.402 -0.363 . . . . 1.0 111.425 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' B' ' 13' ' ' LEU . 47.9 ttt85 -80.73 -39.96 26.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 1.0 110.454 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' B' ' 13' ' ' LEU . 43.9 t -59.07 -37.51 68.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.572 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.41 ' H ' HG23 ' B' ' 17' ' ' THR . 3.8 p -76.17 -25.14 54.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.434 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -68.81 -17.52 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.314 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 82.5 mt -68.45 -58.03 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.94 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -59.48 -66.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.158 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -45.19 -34.25 2.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.523 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.428 ' O ' ' NH2' ' B' ' 28' ' ' ARG . . . -63.27 -22.23 66.74 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 121.088 -0.245 . . . . 1.0 111.188 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 37.3 mt -72.98 2.95 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.285 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.82 -155.99 0.01 OUTLIER Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 51.39 93.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 1.0 110.489 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -50.24 -63.55 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.992 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -43.61 -33.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.552 -177.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.428 ' NH2' ' O ' ' B' ' 22' ' ' ALA . 40.4 ttp180 -71.21 -40.99 70.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.337 . . . . 1.0 110.937 -178.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.58 -27.55 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.558 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 29.5 mmm-85 -64.36 -27.85 69.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.53 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.661 HD12 ' N ' ' B' ' 31' ' ' ILE . 1.7 mp -73.99 -27.27 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.615 -0.513 . . . . 1.0 109.615 177.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 12.8 tpt -69.68 -48.6 59.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.633 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.415 ' O ' ' OG ' ' B' ' 36' ' ' SER . 9.1 tm-20 -54.15 -31.58 52.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.519 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.438 ' C ' ' H ' ' B' ' 36' ' ' SER . 0.9 OUTLIER -67.23 -61.75 1.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.347 -179.586 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 39.1 mt -56.89 -5.44 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.961 -0.563 . . . . 1.0 111.004 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.438 ' H ' ' C ' ' B' ' 34' ' ' LEU . 9.9 p -81.55 -50.85 8.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.748 0.309 . . . . 1.0 110.632 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 6.5 p -76.3 -29.99 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.669 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 10.3 p -178.7 145.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.42 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -57.0 169.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.512 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.37 151.84 25.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.73 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.473 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 26.1 p -90.23 164.16 14.51 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.42 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -53.45 -57.66 4.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.001 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.23 -45.58 93.93 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.302 -0.719 . . . . 1.0 111.302 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.473 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 2.6 m-70 -50.98 -40.2 57.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.713 0.292 . . . . 1.0 111.071 -178.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.482 ' C ' ' H ' ' B' ' 47' ' ' HIS . 85.8 mt -69.62 -35.59 66.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.583 -177.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.424 ' O ' ' O ' ' B' ' 50' ' ' ASN . 44.1 t -53.59 -6.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.98 -0.288 . . . . 1.0 111.601 -176.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.482 ' H ' ' C ' ' B' ' 45' ' ' ILE . 46.2 t60 -91.87 -10.78 38.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 1.0 110.936 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.401 ' OE1' HD12 ' B' ' 34' ' ' LEU . 22.4 mt-30 -85.03 -58.36 2.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.555 -177.207 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 97.0 mt -145.76 -39.34 0.24 Allowed 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.684 0.278 . . . . 1.0 110.483 -178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' B' ' 46' ' ' SER . 65.0 m-80 -74.82 130.28 39.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.004 -177.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.586 ' N ' HD12 ' B' ' 51' ' ' LEU . 7.1 mp -85.3 -58.97 2.47 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.515 -0.55 . . . . 1.0 109.515 178.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.425 ' OG ' ' ND2' ' B' ' 55' ' ' ASN . 29.8 p -80.37 149.79 30.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.163 178.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.428 ' N ' ' OE1' ' B' ' 53' ' ' GLN . 2.4 mm100 -77.47 -17.0 58.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.844 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 95.9 p -80.08 -19.3 47.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.869 -179.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.425 ' ND2' ' OG ' ' B' ' 52' ' ' SER . 3.0 m120 -69.38 -47.89 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.977 -178.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 11.9 p -78.01 -34.43 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.73 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.9 t -57.49 -67.08 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.371 179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -45.58 -43.23 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.634 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -63.56 -38.77 92.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.695 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.46 -31.8 73.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.435 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -65.13 -34.47 78.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.557 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.4 ' H ' ' HG ' ' B' ' 62' ' ' LEU . 31.4 mt -58.61 -41.9 86.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.572 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 41.2 mt -70.65 -30.77 67.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -60.23 -39.03 85.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.594 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.2 t -65.35 -34.3 78.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.608 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.442 ' O ' HG12 ' B' ' 66' ' ' VAL . 26.7 t -77.48 -4.84 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.333 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 59.1 t60 60.84 8.1 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.421 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.52 ' O ' HD23 ' B' ' 68' ' ' LEU . 0.8 OUTLIER -63.63 -13.09 39.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.104 -178.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 33.8 m -151.09 176.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.41 . . . . 1.0 110.876 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -136.16 175.09 9.92 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.855 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -141.31 148.31 39.55 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.754 0.311 . . . . 1.0 110.569 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -143.03 149.19 37.91 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.448 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -90.47 149.98 22.0 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.042 177.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -153.0 97.25 2.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 1.0 110.493 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.18 -110.36 3.11 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -111.44 -31.16 7.12 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.852 0.358 . . . . 1.0 110.28 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 10.4 t -83.22 141.53 31.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.762 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 47.1 mtm -90.66 88.86 7.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.223 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -78.44 134.28 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.6 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -115.12 154.33 29.13 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.549 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 59.5 p -156.31 -178.68 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.201 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.513 ' H ' HD23 ' B' ' 82' ' ' LEU . 0.2 OUTLIER -92.25 -175.96 4.2 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.937 -0.394 . . . . 1.0 109.937 179.489 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -69.81 -94.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.793 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 86' ' ' HIS . 50.7 m-20 -155.32 165.45 36.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.664 -179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.44 ' O ' HG23 ' B' ' 85' ' ' ILE . 4.1 tp -43.71 88.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.395 0.616 . . . . 1.0 110.953 -178.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.537 ' N ' ' O ' ' B' ' 84' ' ' ASP . 5.6 t-160 -174.87 -39.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.612 -0.722 . . . . 1.0 109.628 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.495 HG23 ' N ' ' B' ' 88' ' ' ALA . 32.6 m -85.3 -41.04 15.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.466 -0.788 . . . . 1.0 110.471 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.495 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -66.92 -19.15 65.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.346 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 17.7 m -73.27 -48.31 35.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.372 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 8.6 tpt -63.63 -26.55 68.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.238 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 20.0 tp -62.47 -54.7 36.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.615 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -70.06 -55.6 9.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.103 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -44.11 -25.38 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 1.0 110.964 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.08 -70.96 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.906 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.8 tt -54.34 -12.73 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 1.0 110.42 -179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -70.82 -46.21 63.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.506 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -65.68 -13.39 59.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.385 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.54 -6.37 48.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.394 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.521 ' O ' ' CG ' ' B' ' 100' ' ' HIS . 77.1 m-20 -160.55 -168.37 2.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.642 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' B' ' 99' ' ' ASN . 96.7 m-70 -158.42 70.24 3.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.274 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' B' ' 100' ' ' HIS . 80.0 Cg_exo -46.72 -178.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.896 2.397 . . . . 1.0 112.424 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -70.63 -135.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.489 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.998 -1.001 . . . . 1.0 110.497 -179.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.0 m120 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.8 t -46.06 -22.67 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.657 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -75.91 -56.79 4.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.105 178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.0 m -54.67 -31.82 58.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.294 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -52.48 -60.11 3.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.04 179.697 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -54.05 -23.33 13.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.741 -178.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -76.34 -36.3 58.31 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.653 -0.419 . . . . 1.0 110.378 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.5 t -55.77 -25.41 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.213 178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 95.2 m -73.19 -58.79 3.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.306 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -39.07 -32.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.429 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.3 mt -57.55 -63.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.463 179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' LEU . 98.0 m-85 -59.64 -57.29 13.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.701 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -44.96 -36.11 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.937 -178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.0 -25.21 58.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.962 0.41 . . . . 1.0 110.375 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -81.53 -30.56 33.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.868 -0.606 . . . . 1.0 109.824 179.265 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.65 87.36 0.53 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.067 -0.813 . . . . 1.0 111.067 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -161.14 121.92 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.725 0.298 . . . . 1.0 110.344 179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -55.68 -33.61 64.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.923 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.754 HD21 HE22 ' A' ' 59' ' ' GLN . 53.2 t30 -74.58 -52.09 12.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 1.0 111.388 -177.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -69.51 -48.96 58.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.754 0.312 . . . . 1.0 111.316 -177.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.422 HG23 ' N ' ' A' ' 30' ' ' ARG . 10.6 tp -46.58 -39.4 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.378 -0.373 . . . . 1.0 110.998 -176.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' N ' HG23 ' A' ' 29' ' ' ILE . 50.1 ttp180 -70.13 -34.34 72.94 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.204 -178.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.0 mt -68.05 -44.85 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.65 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.4 mmt -52.63 -33.94 48.97 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.681 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -72.49 -29.5 63.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.979 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 29.8 tp -75.61 -57.74 3.7 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.856 -0.337 . . . . 1.0 110.526 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.565 HD12 ' N ' ' A' ' 35' ' ' LEU . 9.5 mp -61.85 -24.17 66.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.293 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.7 t -63.87 -68.77 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.43 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 46.7 t -49.63 -39.13 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.416 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.5 m -165.73 134.62 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.662 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.604 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 20.0 mp0 -52.33 167.73 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.471 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.0 149.05 22.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.8 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.2 p -88.64 167.72 13.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.313 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.6 t -56.98 -56.83 12.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.901 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.28 -30.38 67.54 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.445 -0.662 . . . . 1.0 111.445 -178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -66.94 -22.24 65.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.724 0.297 . . . . 1.0 110.993 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.3 mt -77.65 -31.35 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.865 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 50' ' ' ASN . 13.5 t -48.17 -41.28 26.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 1.0 110.898 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.491 ' O ' ' CD2' ' A' ' 47' ' ' HIS . 19.0 t-160 -61.14 -15.9 38.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.947 -178.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -92.88 -57.62 2.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.094 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 49' ' ' LEU . 9.5 mp -93.4 -33.23 13.93 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.554 -0.294 . . . . 1.0 110.52 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' A' ' 46' ' ' SER . 69.9 m-80 54.86 87.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.838 0.351 . . . . 1.0 110.274 -178.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -160.22 -167.49 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.342 -178.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 t -69.42 124.56 24.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.729 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -54.13 -32.15 54.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.76 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.417 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 11.0 t -63.89 -17.65 63.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.756 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.408 HD22 HD22 ' A' ' 51' ' ' LEU . 51.4 t30 -74.59 -42.58 58.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.857 -179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 t -70.26 -41.95 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.913 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.3 t -55.61 -37.22 67.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.483 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.484 ' ND1' ' N ' ' A' ' 58' ' ' HIS . 1.8 m-70 -78.84 -34.31 45.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.652 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.754 HE22 HD21 ' A' ' 27' ' ' ASN . 15.0 tt0 -70.38 -60.82 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.782 -179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 31.3 tp -50.23 -31.74 14.76 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.665 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -67.08 -36.08 81.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.826 -179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.3 tp -67.78 -38.34 83.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.665 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 19.4 mt -64.94 -26.74 68.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.522 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -68.31 -36.84 79.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.677 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 67.4 m -47.27 -50.03 22.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.741 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.2 t -76.93 -1.14 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.521 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 62.25 20.61 11.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.003 -0.544 . . . . 1.0 111.412 178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.07 -8.64 51.07 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.608 -0.437 . . . . 1.0 110.172 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 70' ' ' LYS . 30.1 t -137.02 155.46 32.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.353 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.414 ' N ' HG12 ' A' ' 69' ' ' VAL . 31.4 ttmt -152.16 122.75 7.36 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.252 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.0 169.23 8.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.608 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -149.01 164.36 34.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.221 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -87.83 132.82 34.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.424 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -153.0 108.38 3.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.293 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.28 -146.57 29.2 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.76 -0.936 . . . . 1.0 110.76 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -96.55 13.34 28.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.741 0.305 . . . . 1.0 110.498 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -138.29 163.26 32.25 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.042 0.448 . . . . 1.0 110.858 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' A' ' 78' ' ' MET . 2.1 mpt? -98.96 133.29 43.44 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.104 178.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.7 tt -117.17 137.75 50.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.276 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -102.05 134.93 44.51 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.662 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.3 t -147.14 173.9 12.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.051 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.771 HD22 ' N ' ' A' ' 82' ' ' LEU . 1.7 mm? -94.11 173.06 7.84 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.063 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -64.18 -126.04 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.055 178.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -82.87 -138.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.673 0.273 . . . . 1.0 110.504 179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.7 pt -107.72 -2.97 10.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.257 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -61.0 -24.38 66.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.815 -179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 88' ' ' ALA . 28.9 m -77.38 -38.89 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.626 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -62.27 -59.61 4.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.619 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.4 p -47.15 -55.34 8.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.467 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.6 ttp -53.71 -54.28 40.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.658 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.6 tp -55.11 -43.96 74.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.528 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -64.8 -56.96 10.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.598 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -46.48 -24.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.225 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.96 -64.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.789 -0.365 . . . . 1.0 110.727 -179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 13.2 tt -60.23 -16.11 11.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.687 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -74.81 -34.44 62.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.483 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.534 ' HD1' ' CE1' ' A' ' 100' ' ' HIS . 32.8 t60 -83.45 -15.94 47.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.537 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.507 ' O ' ' ND2' ' A' ' 99' ' ' ASN . . . -59.64 -33.8 71.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.048 -178.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 98' ' ' ALA . 30.9 m120 -156.76 108.11 2.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 1.0 110.703 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.534 ' CE1' ' HD1' ' A' ' 97' ' ' HIS . 97.7 m-70 -78.16 150.0 76.93 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.003 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -75.83 94.85 1.0 Allowed 'Trans proline' 0 C--N 1.31 -1.488 0 C-N-CA 121.865 1.71 . . . . 1.0 111.922 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -171.83 132.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.477 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.053 -0.975 . . . . 1.0 110.615 -179.927 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.438 HD22 ' N ' ' B' ' 9' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.396 -0.594 . . . . 1.0 109.396 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.402 HG23 ' H ' ' B' ' 10' ' ' THR . 31.6 p -51.97 -12.6 0.23 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.689 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.417 ' N ' ' C ' ' B' ' 9' ' ' ASN . 11.9 t0 -71.49 -59.16 2.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.909 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 41.6 p -64.93 -56.97 10.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.987 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.506 ' N ' HD12 ' B' ' 13' ' ' LEU . 9.1 mp -44.72 -30.06 0.88 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.76 -178.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -68.08 -54.26 19.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.767 -0.373 . . . . 1.0 110.49 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' B' ' 18' ' ' GLU . 56.3 ttt85 -67.13 -45.82 75.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 1.0 111.045 -178.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.416 HG12 ' O ' ' B' ' 16' ' ' VAL . 93.5 t -46.69 -15.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.975 -178.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.45 ' N ' ' O ' ' B' ' 15' ' ' ARG . 52.9 m -91.19 -29.15 17.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.82 0.343 . . . . 1.0 110.735 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' B' ' 15' ' ' ARG . 21.5 tt0 -77.93 -27.67 49.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.512 -177.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 pt -62.62 -28.21 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.629 -0.429 . . . . 1.0 110.75 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -79.51 -52.48 7.98 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.602 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -44.75 -23.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.751 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.69 -32.22 65.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.06 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.591 HD12 ' N ' ' B' ' 23' ' ' LEU . 7.2 mp -84.85 -0.77 55.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.844 0.354 . . . . 1.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.36 178.38 10.61 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.093 -0.803 . . . . 1.0 111.093 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 61.68 135.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 1.0 110.877 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -70.21 -12.27 61.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.254 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -69.67 -53.97 16.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 1.0 110.925 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.464 ' N ' ' CD ' ' B' ' 28' ' ' ARG . 7.1 mpt_? -70.14 -28.82 65.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.25 -177.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 98.5 mt -69.78 -34.44 60.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.281 -177.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -75.8 -36.37 59.75 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.995 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 81.0 mt -67.08 -25.4 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.368 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 2.4 tpt -76.12 -32.57 59.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.647 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -60.41 -58.11 9.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.323 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.35 -41.05 83.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.143 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 85.0 mt -58.57 -39.88 81.53 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.391 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 52.0 m -59.45 -30.15 68.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.421 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 90.4 t -80.44 -44.8 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.609 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 5.9 m -167.3 131.07 1.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.636 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -47.74 166.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.336 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.12 148.04 21.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.833 0.349 . . . . 1.0 110.693 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 60.2 m -79.7 168.71 18.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.406 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.582 HG13 ' N ' ' B' ' 43' ' ' GLY . 7.7 p -56.49 -53.21 43.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.884 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.582 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -66.02 -17.28 65.36 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.749 -0.54 . . . . 1.0 111.749 -177.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -76.34 -24.37 54.24 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.66 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 15.1 mm -70.05 -27.8 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 1.0 110.469 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.48 ' O ' ' N ' ' B' ' 50' ' ' ASN . 8.8 t -56.82 -46.19 81.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.93 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.487 ' ND1' ' N ' ' B' ' 47' ' ' HIS . 1.8 m80 -73.71 -23.66 59.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.429 -0.35 . . . . 1.0 111.127 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -69.13 -8.54 46.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.185 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.416 ' C ' HD12 ' B' ' 49' ' ' LEU . 0.3 OUTLIER -165.92 17.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.829 -179.636 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' B' ' 50' ' ' ASN . 2.1 p-10 40.71 82.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.343 -0.39 . . . . 1.0 111.883 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 77.9 mt -148.87 -177.88 6.04 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.718 -0.475 . . . . 1.0 109.718 176.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.438 ' C ' ' N ' ' B' ' 54' ' ' SER . 12.6 t -78.72 121.24 24.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.72 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -48.89 -15.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.738 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.438 ' N ' ' C ' ' B' ' 52' ' ' SER . 98.8 p -81.83 -30.5 32.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.684 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -68.06 -42.71 80.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.965 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.418 HG23 ' N ' ' B' ' 57' ' ' SER . 16.3 m -73.72 -37.15 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.822 -178.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.418 ' N ' HG23 ' B' ' 56' ' ' VAL . 28.2 t -57.36 -37.22 72.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.399 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -74.49 -54.29 7.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.342 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -52.09 -40.73 61.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.7 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 9.2 tp -59.5 -33.47 71.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.676 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -61.76 -35.03 76.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.763 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.56 HD12 ' N ' ' B' ' 62' ' ' LEU . 10.1 mp -76.11 -38.67 56.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.215 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 11.4 tp -67.13 -38.31 85.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.421 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.464 ' NZ ' ' CB ' ' B' ' 64' ' ' LYS . 2.5 ttmp? -66.91 -35.11 79.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.815 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.509 ' O ' ' CD2' ' B' ' 67' ' ' HIS . 12.6 t -46.94 -61.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.706 -179.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.401 ' O ' HG12 ' B' ' 66' ' ' VAL . 20.5 t -60.45 -4.14 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.314 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' B' ' 65' ' ' SER . 7.2 m80 69.12 19.52 7.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.164 178.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 mt -63.58 -10.87 20.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.081 0.467 . . . . 1.0 109.843 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 30.9 m -149.09 174.67 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.714 -0.676 . . . . 1.0 109.743 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -129.04 166.86 18.42 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.14 0.495 . . . . 1.0 110.675 -178.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -138.86 131.35 28.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.485 -0.78 . . . . 1.0 109.337 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -136.79 153.75 50.73 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.894 0.378 . . . . 1.0 110.418 -178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.524 ' N ' ' CD ' ' B' ' 73' ' ' ARG . 10.1 mpt_? -90.77 146.19 24.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.981 -0.554 . . . . 1.0 109.982 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -147.07 81.57 1.55 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.84 0.352 . . . . 1.0 110.255 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.83 -83.87 1.51 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -138.29 -29.5 0.82 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.621 0.248 . . . . 1.0 110.573 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 71.2 m -84.37 135.27 34.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.499 -0.319 . . . . 1.0 110.698 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.439 ' O ' ' CE2' ' B' ' 80' ' ' TYR . 68.7 mtm -87.28 87.97 7.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.408 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -83.6 144.32 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.894 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.439 ' CE2' ' O ' ' B' ' 78' ' ' MET . 10.0 m-85 -120.48 151.91 38.71 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.192 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 37.2 p -148.57 178.02 8.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.879 0.371 . . . . 1.0 110.587 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 13.1 mt -65.15 161.91 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.719 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.49 -67.92 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.669 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -150.98 -171.92 4.06 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.618 -0.512 . . . . 1.0 109.618 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.719 ' H ' HD13 ' B' ' 85' ' ' ILE . 0.0 OUTLIER -85.36 94.4 3.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 N-CA-C 109.967 -0.383 . . . . 1.0 109.967 -179.768 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -173.32 -14.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.66 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.5 m -81.27 -34.49 13.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.022 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.35 -30.46 71.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.96 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' B' ' 93' ' ' GLN . 52.5 m -82.72 -30.18 29.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 1.0 111.087 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 6.2 tpt -68.37 -43.86 76.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.476 -0.329 . . . . 1.0 111.173 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 27.1 mt -72.54 -54.28 9.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.41 -176.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.498 ' N ' ' CD ' ' B' ' 92' ' ' LYS . 10.4 mptt -64.71 -13.51 54.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.421 -0.354 . . . . 1.0 111.667 -176.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' B' ' 89' ' ' THR . 44.6 mm-40 -93.2 -25.37 17.85 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.727 0.298 . . . . 1.0 110.607 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.76 -55.02 14.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.392 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.48 -26.72 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.578 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.426 ' O ' ' ND1' ' B' ' 96' ' ' HIS . 0.7 OUTLIER -61.28 -37.88 84.74 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.686 179.667 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' B' ' 99' ' ' ASN . 11.3 t60 -64.42 -63.8 1.04 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.591 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -42.81 -23.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.215 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.523 ' O ' ' ND1' ' B' ' 100' ' ' HIS . 73.9 m-20 -81.98 132.03 35.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 1.0 110.916 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.523 ' ND1' ' O ' ' B' ' 99' ' ' ASN . 60.1 m-70 -158.51 60.74 1.83 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.306 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -77.63 -98.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.871 2.381 . . . . 1.0 112.277 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -140.81 47.1 1.75 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.986 -1.006 . . . . 1.0 110.629 179.921 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 59.4 m -49.21 -33.7 13.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.717 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -64.32 -56.25 15.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.688 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.9 p -62.6 -53.73 50.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.524 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.3 tp -45.39 -28.45 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.595 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -66.13 -57.18 8.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.272 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' CB ' ' NH1' ' A' ' 15' ' ' ARG . 29.0 mtm105 -59.34 -38.68 80.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.988 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.3 t -46.92 -43.9 6.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.806 0.336 . . . . 1.0 110.651 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.6 m -64.4 -35.56 81.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.732 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -60.55 -21.54 62.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.494 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.5 mt -73.7 -30.48 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.056 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -82.95 -68.15 0.73 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.699 0.285 . . . . 1.0 111.16 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.0 tttm -45.58 -36.26 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.217 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.98 -23.09 43.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.413 -0.358 . . . . 1.0 111.115 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 mt -89.59 8.01 33.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.492 -0.322 . . . . 1.0 111.246 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.77 -57.2 21.03 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.169 -0.773 . . . . 1.0 111.169 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -46.67 103.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.867 0.365 . . . . 1.0 110.741 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -51.12 -18.53 0.87 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.442 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -82.45 -35.02 27.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.94 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -74.44 -34.89 63.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.225 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.4 tp -72.61 -32.17 40.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.819 -177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -71.89 -32.49 67.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.741 0.305 . . . . 1.0 110.81 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.5 mt -69.62 -24.77 27.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.091 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.7 ttm -74.73 -38.21 62.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.171 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -54.6 -31.06 56.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.524 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.09 -68.39 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.644 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 35' ' ' LEU . 9.8 mp -54.76 -12.77 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.848 -0.341 . . . . 1.0 110.242 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.7 m -75.86 -49.72 17.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.593 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.0 p -79.29 -24.79 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.574 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.8 p -170.74 121.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.802 0.334 . . . . 1.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -46.34 168.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.494 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.48 151.13 24.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.855 0.359 . . . . 1.0 110.887 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.0 m -84.86 -175.23 5.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.681 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.52 -60.81 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.847 -0.615 . . . . 1.0 111.254 -178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -70.6 -19.26 76.3 Favored Glycine 0 CA--C 1.525 0.716 0 C-N-CA 120.851 -0.69 . . . . 1.0 111.973 -175.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -74.88 -33.2 62.03 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 122.554 -0.38 . . . . 1.0 111.936 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.7 pt -77.01 -16.78 14.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.527 -0.469 . . . . 1.0 110.968 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.1 m -55.54 -16.59 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.694 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -81.12 -17.67 49.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.381 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -81.79 -58.18 3.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.981 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 50' ' ' ASN . 7.1 tp -172.72 -19.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.874 -0.33 . . . . 1.0 111.101 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 49' ' ' LEU . 25.5 m-80 -60.84 -127.58 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.739 -0.385 . . . . 1.0 110.739 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.47 HD23 ' C ' ' A' ' 51' ' ' LEU . 3.0 tt -165.4 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.611 -0.435 . . . . 1.0 110.821 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 t -154.61 -148.08 0.23 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.822 0.344 . . . . 1.0 110.908 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -78.36 -53.52 7.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.352 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.9 t -45.35 -50.6 12.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.275 -177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -72.82 -49.53 29.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.393 -0.367 . . . . 1.0 111.576 -177.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.0 t -63.52 -33.1 59.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.005 -177.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.2 p -59.72 -44.71 93.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.087 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.71 -25.21 64.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.119 -178.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -80.01 -69.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.463 -0.335 . . . . 1.0 111.251 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.7 mt -45.79 -24.59 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.931 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -72.61 -43.76 62.89 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.776 -0.369 . . . . 1.0 110.312 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.0 tp -64.22 -50.39 68.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.911 -179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 mt -60.98 -24.92 66.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 1.0 111.14 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -62.83 -40.35 97.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.762 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.7 m -71.1 -22.47 62.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.891 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.46 ' O ' ' CB ' ' A' ' 67' ' ' HIS . 24.1 t -75.01 -0.96 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.575 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.46 ' CB ' ' O ' ' A' ' 66' ' ' VAL . 12.7 t-80 86.44 2.0 0.54 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.747 179.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.7 mt -111.23 157.47 20.07 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.262 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.1 t 66.84 133.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.82 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -144.23 149.16 35.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.046 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.71 122.97 45.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.861 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -96.04 129.65 43.26 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.19 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -85.45 105.2 15.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.753 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -128.23 83.43 2.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.35 -0.386 . . . . 1.0 109.999 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.3 -167.9 35.23 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.503 -1.039 . . . . 1.0 110.503 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -56.57 -15.48 4.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 1.0 110.353 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.4 t -92.24 116.36 28.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.949 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -100.31 143.66 30.23 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.092 -0.504 . . . . 1.0 109.786 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.6 pt -139.87 162.1 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.796 0.331 . . . . 1.0 110.621 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -125.22 151.45 45.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.085 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.8 p -174.45 110.82 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.446 173.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.578 ' H ' HD23 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -67.83 -107.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 178.722 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.5 t0 45.0 89.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.139 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.494 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 0.6 OUTLIER -102.21 18.94 19.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.24 -0.436 . . . . 1.0 109.83 177.303 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.521 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 9.0 mm 63.94 45.13 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.768 -0.651 . . . . 1.0 109.589 -176.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 24.4 m80 -163.46 -24.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.825 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.6 t -87.2 -36.74 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.067 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.79 -42.5 81.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.456 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.419 ' O ' ' OE1' ' A' ' 93' ' ' GLN . 17.9 p -59.47 -58.97 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.289 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 19.5 ttt -46.17 -43.78 15.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.402 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -63.57 -35.74 81.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.302 179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 94' ' ' ALA . 16.4 ttmm -69.73 -63.63 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.419 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.517 ' CD ' ' H ' ' A' ' 93' ' ' GLN . 1.2 mp0 -42.53 -18.78 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.989 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.506 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -76.16 -53.03 8.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.372 . . . . 1.0 110.415 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.2 mm -53.34 -21.82 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.566 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -75.61 -50.71 14.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.543 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -62.31 -33.72 75.21 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.11 -59.13 5.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.063 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -91.12 97.03 10.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.419 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -159.82 57.28 0.97 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.738 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -75.77 -44.04 0.31 Allowed 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.638 2.225 . . . . 1.0 111.904 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -163.96 -179.92 6.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.609 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 103' ' ' GLU . 1.4 pm0 . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.571 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 6.7 t -85.6 -23.46 27.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.582 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -82.11 -48.22 11.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.403 179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.6 p -59.09 -29.66 67.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.473 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.426 HD13 ' C ' ' B' ' 13' ' ' LEU . 0.3 OUTLIER -65.2 -67.05 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.267 -179.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -43.39 -25.02 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.595 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -73.06 -36.94 66.97 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.642 -0.423 . . . . 1.0 110.854 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.53 ' O ' ' CE2' ' B' ' 20' ' ' PHE . 27.2 t -64.12 -24.19 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.319 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 29.1 m -91.69 -38.26 12.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.708 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' B' ' 22' ' ' ALA . 57.3 tt0 -63.14 -13.35 35.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.797 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 7.8 pt -81.4 -33.82 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.888 -0.325 . . . . 1.0 110.946 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' B' ' 16' ' ' VAL . 6.2 m-85 -76.16 -67.09 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.598 -0.441 . . . . 1.0 111.024 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -51.42 -39.83 58.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.288 -177.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' B' ' 18' ' ' GLU . . . -49.98 -19.61 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.551 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.9 mt -106.8 50.4 0.77 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.78 -71.59 1.18 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.523 ' OD2' ' NH1' ' B' ' 28' ' ' ARG . 57.6 t0 -44.15 131.63 5.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.904 0.383 . . . . 1.0 111.15 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -65.68 -10.94 40.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.0 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -67.02 -43.88 81.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.298 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.689 ' NH2' HE22 ' B' ' 59' ' ' GLN . 7.9 mpt_? -73.12 -26.71 61.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.574 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 31.3 mm -67.61 -39.41 82.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.763 -0.375 . . . . 1.0 110.863 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -71.94 -32.95 67.82 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.793 -0.363 . . . . 1.0 110.688 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.1 mt -72.43 -56.93 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.471 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 65.4 mtp -49.14 -39.54 29.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.496 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -63.84 -31.83 73.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.796 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.462 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.3 OUTLIER -70.47 -57.33 4.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.053 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.533 ' N ' HD12 ' B' ' 35' ' ' LEU . 10.2 mp -56.34 -16.8 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.527 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.3 m -69.97 -42.23 73.43 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.651 -0.419 . . . . 1.0 110.212 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 t -77.28 -40.36 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.566 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 45.9 t -164.84 135.65 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.515 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -53.87 169.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.14 148.83 22.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.873 0.368 . . . . 1.0 110.832 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 50.6 m -80.5 164.78 22.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.219 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.616 HG13 ' N ' ' B' ' 43' ' ' GLY . 10.5 p -52.65 -52.37 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.633 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.616 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -69.19 -36.63 80.1 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 121.105 -0.569 . . . . 1.0 111.687 -177.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.8 -28.46 66.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.714 0.292 . . . . 1.0 111.122 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 84.8 mt -74.73 -19.14 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.385 -0.371 . . . . 1.0 110.725 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 23.7 p -56.62 -49.1 75.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 1.0 110.906 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -60.19 -11.85 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.023 -178.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -77.43 -55.39 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.928 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 29.4 mt -132.82 42.54 3.06 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.372 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 61.68 -130.29 0.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.549 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 22.8 mt 57.61 -178.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.784 0.326 . . . . 1.0 110.515 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.1 m -121.34 175.85 5.94 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.573 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -66.53 -34.12 77.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.729 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 59.6 p -71.06 -44.54 65.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.594 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -58.92 -44.12 91.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.727 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 92.3 t -68.59 -30.56 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.753 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 22.7 p -59.02 -34.73 72.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.58 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -75.9 -36.27 59.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.102 -178.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.689 HE22 ' NH2' ' B' ' 28' ' ' ARG . 23.2 mm100 -68.21 -66.21 0.6 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.996 -178.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 43.1 mt -48.59 -25.38 1.7 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.942 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -70.66 -40.96 72.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 1.0 110.344 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.447 ' O ' HD23 ' B' ' 62' ' ' LEU . 3.2 tt -57.22 -56.02 27.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.052 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.545 HD12 ' N ' ' B' ' 63' ' ' LEU . 8.4 mp -58.09 -26.91 63.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.308 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -73.52 -10.65 59.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.433 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.9 t -81.51 -50.2 9.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 1.0 111.689 -177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.852 HG13 ' H ' ' B' ' 67' ' ' HIS . 5.6 p -64.72 -70.09 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.575 -0.45 . . . . 1.0 111.565 -175.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.852 ' H ' HG13 ' B' ' 66' ' ' VAL . 29.0 t-80 -176.85 0.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 121.108 -0.237 . . . . 1.0 111.475 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.426 ' H ' ' H ' ' B' ' 67' ' ' HIS . 10.4 mp -103.51 152.69 21.39 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.74 -0.467 . . . . 1.0 109.74 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 7.1 t 63.62 146.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.067 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -151.4 140.81 21.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.749 -0.66 . . . . 1.0 109.867 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.66 142.0 34.54 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.99 0.424 . . . . 1.0 110.791 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 43.5 pttt -146.42 113.54 6.19 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.82 -0.627 . . . . 1.0 109.731 178.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -60.66 151.43 29.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.372 -174.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -152.91 96.69 2.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.517 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 63.42 48.44 78.5 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 70.75 -22.29 0.18 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.552 0.215 . . . . 1.0 111.154 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.495 ' H ' ' C ' ' B' ' 75' ' ' GLY . 14.8 m -84.14 119.84 25.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.8 0.333 . . . . 1.0 110.591 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -83.37 124.49 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.598 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.442 HG22 ' N ' ' B' ' 80' ' ' TYR . 85.9 mt -129.42 155.51 41.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.21 -179.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.484 ' CD1' ' N ' ' B' ' 80' ' ' TYR . 5.2 m-85 -127.59 159.56 34.27 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.419 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 66.6 m -159.96 -167.94 2.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.796 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 12.5 mt -69.31 150.19 47.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.745 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -81.38 -21.54 38.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.384 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.505 ' OD2' ' ND1' ' B' ' 86' ' ' HIS . 26.7 t70 -172.03 178.17 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.127 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.466 ' O ' ' HB3' ' B' ' 88' ' ' ALA . 34.5 mt -78.99 -27.33 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 1.0 110.817 -178.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.505 ' ND1' ' OD2' ' B' ' 84' ' ' ASP . 41.5 m80 -52.46 -65.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.009 -178.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 7.6 p -45.42 -29.66 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.098 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' B' ' 85' ' ' ILE . . . -62.77 -59.09 5.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.853 0.359 . . . . 1.0 110.59 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.421 ' O ' ' OE1' ' B' ' 93' ' ' GLN . 71.8 p -62.55 -29.67 70.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.586 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 15.2 ttt -48.6 -54.67 13.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.795 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 25.8 mt -68.25 -23.95 64.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.933 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -67.69 -70.22 0.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.718 -0.393 . . . . 1.0 110.593 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.474 ' CD ' ' H ' ' B' ' 93' ' ' GLN . 7.5 mp0 -53.43 -12.11 0.4 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.46 -0.336 . . . . 1.0 110.948 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.0 -46.45 57.16 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.402 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 77.2 mt -72.67 -14.36 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.809 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -67.58 -51.18 53.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.764 -0.374 . . . . 1.0 110.299 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -63.14 -22.97 67.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.383 179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.62 87.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.666 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -77.93 -109.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.454 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 54.18 72.04 1.21 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 1.0 110.779 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.47 -61.95 0.52 Allowed 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.649 2.233 . . . . 1.0 112.112 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -166.23 88.29 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.457 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 117.969 -1.015 . . . . 1.0 110.555 -179.776 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 47.1 t30 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.32 -0.622 . . . . 1.0 109.32 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 85.6 m -87.22 -36.44 17.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.584 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -76.0 -24.5 55.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.526 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.8 p -76.26 -65.86 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.587 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.4 tp -46.2 -24.54 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.341 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -73.39 -55.31 6.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.478 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.43 ' C ' ' N ' ' A' ' 17' ' ' THR . 27.4 ttp180 -50.99 -35.19 32.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.882 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.6 t -46.15 -18.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.712 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.43 ' N ' ' C ' ' A' ' 15' ' ' ARG . 84.6 m -88.0 -37.08 16.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.703 179.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' ARG . 77.2 mt-10 -67.89 -34.52 76.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.531 -177.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.9 pt -60.66 -27.47 40.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.773 -0.371 . . . . 1.0 110.85 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -77.72 -46.72 20.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.487 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -50.94 -20.1 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.873 0.368 . . . . 1.0 110.466 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.2 -38.07 84.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.174 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 23' ' ' LEU . 9.5 mp -72.6 -11.47 60.66 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 177.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -44.11 -24.11 0.51 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.939 -0.865 . . . . 1.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -79.0 143.28 35.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 1.0 110.602 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' ARG . 51.6 t80 -87.59 -71.6 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.235 -179.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -45.2 -13.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.511 -177.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.525 ' N ' ' O ' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -75.18 -42.87 54.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.749 0.309 . . . . 1.0 110.389 -179.014 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 tp -56.89 -41.26 76.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.747 -0.381 . . . . 1.0 110.876 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -67.08 -32.68 74.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.497 -0.32 . . . . 1.0 111.033 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 91.6 mt -74.54 -35.12 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.651 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.6 ttt -62.05 -39.53 92.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.711 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' C ' ' N ' ' A' ' 35' ' ' LEU . 62.3 mm-40 -59.02 -68.3 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.146 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -52.1 -11.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.193 -177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.447 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.4 tt -79.93 -59.5 2.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.055 0.455 . . . . 1.0 109.994 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.5 t -47.73 -39.21 17.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.586 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.29 -36.85 71.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.418 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 35' ' ' LEU . 82.7 p -169.86 157.63 6.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.558 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -59.53 166.25 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.085 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.33 126.49 5.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 1.0 110.82 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t -77.12 -159.32 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.404 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 97.2 t -68.32 -63.75 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.943 0.402 . . . . 1.0 110.595 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.16 -35.63 88.32 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.17 -0.772 . . . . 1.0 111.17 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -49.73 -28.17 5.76 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 122.771 -0.252 . . . . 1.0 111.268 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 92.9 mt -74.06 -55.2 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.839 -0.344 . . . . 1.0 110.863 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.415 ' O ' ' OD1' ' A' ' 50' ' ' ASN . 99.0 p -69.75 -3.82 17.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.878 0.37 . . . . 1.0 110.353 178.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -35.3 -48.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.642 -0.708 . . . . 1.0 112.599 -175.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -97.05 -45.33 6.61 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.847 0.356 . . . . 1.0 110.782 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.2 mt -57.42 -58.21 9.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.741 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 46' ' ' SER . 1.6 m120 56.06 92.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.647 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -143.71 -65.67 0.37 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.216 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.3 m -155.19 121.2 5.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.384 . . . . 1.0 110.624 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -74.34 -34.94 63.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.654 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.5 m -59.17 -26.14 64.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.355 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.6 m-20 -76.69 -40.23 49.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.462 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.7 t -59.3 -40.95 82.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.484 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -62.17 -34.11 75.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.361 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -73.72 -64.48 0.99 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.705 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -49.97 -50.2 47.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.745 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.1 tp -49.11 -37.47 21.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.664 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -69.94 -35.59 74.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.678 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.2 tp -60.75 -38.64 85.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.498 -0.319 . . . . 1.0 110.473 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.49 -21.01 65.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.763 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.3 tttm -72.27 -21.5 61.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.278 179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.414 ' C ' ' H ' ' A' ' 67' ' ' HIS . 83.8 p -72.01 -59.55 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.668 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.429 ' H ' HG23 ' A' ' 66' ' ' VAL . 3.1 t -59.18 -6.55 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.926 0.393 . . . . 1.0 110.125 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.414 ' H ' ' C ' ' A' ' 65' ' ' SER . 8.8 t-160 66.69 10.54 7.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.742 177.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.86 -9.28 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.523 -0.471 . . . . 1.0 110.423 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.555 HG12 ' N ' ' A' ' 70' ' ' LYS . 63.9 t -142.56 162.4 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.664 -178.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.555 ' N ' HG12 ' A' ' 69' ' ' VAL . 31.4 ttmt -142.71 135.01 27.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.152 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.53 156.81 19.68 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.632 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -139.82 156.04 46.94 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.006 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -88.88 140.62 29.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.81 0.338 . . . . 1.0 110.704 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -153.24 99.78 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.104 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.19 -132.56 13.61 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.472 -1.051 . . . . 1.0 110.472 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -102.03 24.65 9.76 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.028 0.442 . . . . 1.0 109.933 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 53.0 p -150.68 168.75 23.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.521 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.6 ptp -115.57 143.9 44.66 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.539 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.2 mm -116.15 127.28 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.194 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -92.8 138.14 31.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.043 178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.3 m -154.51 -176.38 5.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.919 0.39 . . . . 1.0 110.787 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.95 143.77 57.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.78 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -79.93 -17.17 53.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.381 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 37.2 t0 -172.21 168.0 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.52 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.406 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 21.1 pt -75.59 -10.19 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.795 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -68.92 -29.62 67.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.797 -179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.4 t -61.87 -46.71 95.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 1.0 111.122 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.78 -35.58 61.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.994 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.9 m -78.2 -62.82 1.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.944 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 90' ' ' MET . 2.1 tmt? -43.35 -39.04 2.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.974 -179.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.6 tp -61.33 -68.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.602 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -58.1 -47.2 83.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.785 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -49.11 -22.03 0.86 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.487 . . . . 1.0 111.413 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -78.64 -52.68 8.09 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.778 -0.369 . . . . 1.0 110.696 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.655 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.9 mp -58.66 -13.04 2.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.88 -0.415 . . . . 1.0 109.88 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' A' ' 99' ' ' ASN . 1.4 m-70 -76.09 -54.61 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.758 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -57.66 -30.93 65.82 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.789 -0.364 . . . . 1.0 110.409 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.41 -49.32 72.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.788 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.431 ' O ' ' O ' ' A' ' 96' ' ' HIS . 13.4 p30 -158.47 177.68 10.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.553 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -146.83 77.01 11.36 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.374 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_exo -45.7 -47.16 14.08 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.592 2.195 . . . . 1.0 112.474 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -167.17 6.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.773 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.954 -1.022 . . . . 1.0 110.626 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.1 t -60.2 -24.52 64.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.611 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -56.8 -52.86 63.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.647 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 65.3 p -60.01 -50.17 74.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.491 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 38.0 tp -43.41 -30.01 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.825 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -73.84 -57.23 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.853 -179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' B' ' 17' ' ' THR . 45.5 mtp180 -49.99 -47.8 52.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.745 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.411 ' O ' HG12 ' B' ' 16' ' ' VAL . 85.7 t -44.33 -16.54 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.888 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.51 ' N ' ' O ' ' B' ' 15' ' ' ARG . 8.2 m -84.53 -45.53 12.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.379 -178.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -15.13 63.48 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.59 -177.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 46.2 mm -58.77 -52.44 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.383 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -64.62 -53.3 49.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.637 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.461 ' C ' ' H ' ' B' ' 23' ' ' LEU . 85.7 tttt -49.88 -42.4 47.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.506 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.28 16.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.535 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.481 HD13 ' O ' ' B' ' 23' ' ' LEU . 0.2 OUTLIER -130.31 -14.38 3.8 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 -178.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.56 93.96 0.22 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.137 -0.785 . . . . 1.0 111.137 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.534 ' CB ' HH11 ' B' ' 28' ' ' ARG . 26.4 t70 -170.3 164.57 8.91 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.159 -0.311 . . . . 1.0 110.159 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.403 ' CD1' ' N ' ' B' ' 26' ' ' TYR . 34.5 m-85 -88.77 -52.23 5.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.106 0.479 . . . . 1.0 111.068 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -60.84 -25.61 66.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.709 -0.678 . . . . 1.0 111.56 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.534 HH11 ' CB ' ' B' ' 25' ' ' ASP . 75.5 mtt85 -75.47 -16.12 60.35 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.738 -0.385 . . . . 1.0 110.744 -178.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 17.0 mm -77.11 -47.12 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.731 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -76.09 -37.56 58.04 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.819 -0.352 . . . . 1.0 111.206 -178.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 93.2 mt -64.67 -59.2 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.336 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 25.1 ttt -48.56 -35.48 13.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.712 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -66.96 -50.32 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.552 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.479 ' O ' HD23 ' B' ' 34' ' ' LEU . 1.8 tt -46.94 -56.67 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.195 179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 30.5 mt -43.51 -49.8 7.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 1.0 111.016 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.0 m -54.29 -40.98 68.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.878 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 84.3 t -70.13 -54.12 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.37 . . . . 1.0 110.824 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 92.1 p -162.42 151.03 14.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.486 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -56.72 170.51 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.435 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.51 174.43 12.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.108 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.422 ' H ' ' HB3' ' B' ' 44' ' ' HIS . 57.8 p -121.42 -173.15 2.56 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.811 -0.44 . . . . 1.0 109.811 178.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.624 HG13 ' N ' ' B' ' 43' ' ' GLY . 7.3 p -62.97 -56.72 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.747 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.624 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -74.18 -37.99 47.75 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 121.205 -0.521 . . . . 1.0 112.177 -176.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.422 ' HB3' ' H ' ' B' ' 41' ' ' SER . 25.1 t60 -51.11 -24.84 4.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.969 0.385 . . . . 1.0 110.942 -177.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.57 HG22 ' O ' ' B' ' 42' ' ' VAL . 10.1 tp -61.31 -16.23 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.125 0.488 . . . . 1.0 110.129 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.529 ' O ' ' N ' ' B' ' 50' ' ' ASN . 58.7 p -64.15 -59.44 4.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.68 -0.691 . . . . 1.0 111.014 -178.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -40.7 -22.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.092 0.472 . . . . 1.0 110.71 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.516 ' N ' ' O ' ' B' ' 46' ' ' SER . 7.5 tp-100 -92.18 -44.78 8.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.518 -0.765 . . . . 1.0 110.026 177.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' B' ' 46' ' ' SER . 21.5 mt -141.47 63.41 1.43 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.196 -0.457 . . . . 1.0 109.962 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' B' ' 46' ' ' SER . 54.6 t-20 -58.49 81.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.785 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' B' ' 49' ' ' LEU . 27.1 mt -133.85 -171.99 2.87 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.164 -0.471 . . . . 1.0 109.9 179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 58.4 m -49.05 110.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.528 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -46.16 -38.77 8.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.794 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 27.7 m -48.59 -28.27 3.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.607 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -67.96 -24.74 65.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.077 -178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 94.5 t -73.44 -50.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 1.0 110.774 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 11.7 t -51.41 -40.1 58.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.614 -179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -64.56 -48.93 73.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.985 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -58.06 -69.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.869 0.366 . . . . 1.0 111.184 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' B' ' 60' ' ' LEU . 48.0 mt -40.92 -27.76 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.222 -178.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -68.99 -43.47 74.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.237 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.9 mt -73.71 -57.52 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.733 0.301 . . . . 1.0 111.162 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.575 HD12 ' N ' ' B' ' 63' ' ' LEU . 9.9 mp -45.79 -41.08 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.359 . . . . 1.0 110.424 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.63 -31.67 69.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.799 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.501 ' OG ' ' N ' ' B' ' 66' ' ' VAL . 19.4 p -48.7 -61.06 2.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.688 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.501 ' N ' ' OG ' ' B' ' 65' ' ' SER . 6.7 m -75.63 2.4 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.735 -179.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 48.1 m80 57.17 33.93 24.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.808 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -76.25 -10.99 59.83 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.805 -0.813 . . . . 1.0 108.805 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.417 HG12 ' N ' ' B' ' 70' ' ' LYS . 52.3 t -135.76 155.33 35.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.835 -0.62 . . . . 1.0 109.837 179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.417 ' N ' HG12 ' B' ' 69' ' ' VAL . 46.2 mmtt -133.52 127.23 32.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.981 0.42 . . . . 1.0 110.198 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.58 138.27 39.71 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.914 -0.585 . . . . 1.0 110.047 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -130.5 149.62 52.08 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.168 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 79.6 mtt-85 -93.64 136.05 34.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.145 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -143.16 87.56 1.97 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.457 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.1 -65.45 2.64 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.944 -0.862 . . . . 1.0 110.944 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -158.35 -23.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.6 0.238 . . . . 1.0 110.837 -179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 34.3 t -89.01 130.69 35.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.75 0.31 . . . . 1.0 110.765 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.488 ' O ' ' CE2' ' B' ' 80' ' ' TYR . 60.3 mmm -87.27 99.44 11.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.279 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 13.9 mm -81.17 149.53 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.991 0.424 . . . . 1.0 111.045 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.488 ' CE2' ' O ' ' B' ' 78' ' ' MET . 55.9 m-85 -130.07 141.73 50.68 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.905 -0.588 . . . . 1.0 109.835 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' B' ' 82' ' ' LEU . 41.7 t -158.29 -168.34 2.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.038 0.446 . . . . 1.0 110.966 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.437 ' N ' ' OG ' ' B' ' 81' ' ' SER . 18.1 mt -68.4 147.96 51.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.792 -178.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' B' ' 83' ' ' ASP . 5.0 t70 -83.83 -23.02 31.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.995 -0.548 . . . . 1.0 110.441 178.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -168.02 150.17 5.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.33 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 17.0 mm -59.98 -21.37 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.638 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -70.17 -15.35 62.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.693 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 59.4 t -75.78 -43.65 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.709 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.73 -54.24 47.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.754 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 10.0 m -55.13 -45.33 75.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.749 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . 0.437 ' C ' ' SD ' ' B' ' 90' ' ' MET . 1.8 tmt? -53.56 -44.95 69.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.741 -179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.7 tp -59.7 -44.65 93.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.819 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.479 ' NZ ' ' CB ' ' B' ' 92' ' ' LYS . 8.1 mtpm? -67.33 -56.66 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.995 -178.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -51.72 -20.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.238 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.12 -68.11 0.72 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.834 0.349 . . . . 1.0 110.814 -179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 73.8 mt -50.84 -21.55 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.705 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 66.8 t-80 -75.97 -39.81 55.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.882 -178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -77.69 -13.96 59.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.528 -0.306 . . . . 1.0 110.874 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.94 -52.94 3.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.758 0.313 . . . . 1.0 111.204 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.438 ' O ' ' O ' ' B' ' 100' ' ' HIS . 9.1 t-20 -160.33 9.56 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.672 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.438 ' O ' ' O ' ' B' ' 99' ' ' ASN . 91.7 m-70 57.19 150.35 0.06 OUTLIER Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.573 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.416 ' O ' ' O ' ' B' ' 102' ' ' LYS . 96.4 Cg_endo -75.07 -48.19 0.18 Allowed 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 121.75 1.633 . . . . 1.0 111.831 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' B' ' 101' ' ' PRO . 63.3 tttm 49.68 101.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.736 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.003 -0.998 . . . . 1.0 110.663 179.513 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.392 -0.596 . . . . 1.0 109.392 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.532 ' O ' ' N ' ' A' ' 12' ' ' THR . 68.4 p -89.86 -64.94 1.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.257 178.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.402 ' N ' ' OG1' ' A' ' 10' ' ' THR . 34.8 t70 -33.64 -27.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.534 -0.757 . . . . 1.0 112.252 -176.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.532 ' N ' ' O ' ' A' ' 10' ' ' THR . 18.6 p -69.72 -71.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.562 -0.29 . . . . 1.0 111.058 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.571 HD12 ' N ' ' A' ' 13' ' ' LEU . 9.7 mp -68.03 -9.26 44.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.076 -177.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -79.78 -35.96 37.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.742 0.306 . . . . 1.0 110.844 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -81.51 -39.15 25.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.552 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.2 t -57.01 -39.15 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.368 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 19' ' ' ILE . 36.7 m -63.19 -61.8 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.334 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -36.4 -29.02 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.829 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' A' ' 17' ' ' THR . 83.6 mt -54.92 -53.41 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.562 -0.455 . . . . 1.0 110.445 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 23' ' ' LEU . 14.9 m-85 -75.83 -61.06 2.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.874 -179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -43.32 -45.75 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.157 -178.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.93 -24.24 66.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.88 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' PHE . 6.3 tp -83.13 29.06 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.397 . . . . 1.0 110.362 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.49 82.31 1.68 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -161.98 146.12 12.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.699 0.285 . . . . 1.0 110.306 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -87.75 -67.45 0.82 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.061 0.457 . . . . 1.0 110.83 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -52.57 -15.45 0.69 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.109 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -76.77 -30.31 56.45 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.898 -179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.3 mm -72.57 -37.03 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.859 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.487 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 48.8 ttt85 -71.6 -31.0 66.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.749 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 85.1 mt -73.24 -50.45 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.342 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.4 tpt -52.21 -36.15 51.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.53 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -55.73 -62.53 1.63 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.4 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.6 tp -49.23 -54.46 16.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.299 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -42.15 -53.44 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.744 -179.556 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.6 m -55.72 -45.57 77.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.161 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.1 t -55.48 -30.53 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.499 -0.319 . . . . 1.0 110.99 -178.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t 172.11 138.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.581 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -55.79 154.04 7.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.647 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.513 ' O ' ' CE1' ' A' ' 80' ' ' TYR . . . -156.96 164.83 37.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.345 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 97.7 p -89.76 161.55 15.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.4 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 81.5 t -50.76 -51.57 19.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.717 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.56 -36.83 90.9 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.528 -0.629 . . . . 1.0 111.528 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -65.34 -31.79 73.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.66 0.267 . . . . 1.0 111.017 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.62 -28.11 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.841 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 50' ' ' ASN . 55.5 p -53.66 -24.49 14.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.083 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 39.3 t60 -79.02 -11.38 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.947 0.403 . . . . 1.0 110.534 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' A' ' 30' ' ' ARG . 60.6 tt0 -75.68 -45.77 35.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.863 -178.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.8 tp -171.46 -28.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.785 -0.366 . . . . 1.0 110.984 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.528 HD22 ' CG ' ' A' ' 55' ' ' ASN . 8.5 m120 -81.6 128.0 33.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.884 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 51' ' ' LEU . 3.4 mm? -101.34 24.65 9.27 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 109.657 -0.497 . . . . 1.0 109.657 177.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.504 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 3.3 p -157.56 138.06 12.92 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.107 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -85.02 -21.38 29.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.33 -178.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 94.0 p -66.57 -36.04 81.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.557 -0.292 . . . . 1.0 111.261 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.528 ' CG ' HD22 ' A' ' 50' ' ' ASN . 18.6 p30 -67.87 -36.47 80.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.733 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.526 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 10.5 t -68.42 -36.88 76.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.753 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 73.6 m -56.91 -40.85 77.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.865 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.525 ' ND1' ' N ' ' A' ' 58' ' ' HIS . 1.3 m-70 -75.67 -60.29 2.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.932 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -49.04 -53.62 19.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.011 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 36.5 tp -56.49 -33.49 66.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.485 -0.325 . . . . 1.0 110.785 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -60.71 -31.4 70.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.761 0.315 . . . . 1.0 110.679 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 16.5 mt -70.08 -54.13 14.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.667 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.7 mp -52.79 -35.66 57.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.442 -0.345 . . . . 1.0 110.196 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -61.47 -29.91 70.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.39 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.2 t -74.28 -33.11 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.406 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.22 -0.88 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.108 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 66.04 9.06 5.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.256 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 69.3 mt -74.32 -12.97 60.68 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.807 -0.357 . . . . 1.0 110.749 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.559 HG22 ' N ' ' A' ' 70' ' ' LYS . 7.2 p -145.48 162.81 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-O 120.96 0.409 . . . . 1.0 110.59 -178.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' N ' HG22 ' A' ' 69' ' ' VAL . 0.9 OUTLIER -142.87 174.88 10.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.109 -179.664 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -153.88 158.87 41.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 1.0 110.506 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -148.87 161.38 41.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.037 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -93.34 136.9 33.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.371 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -153.02 80.57 1.2 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.54 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 79.03 49.47 6.36 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.085 -0.806 . . . . 1.0 111.085 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 69.32 -16.42 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.558 0.218 . . . . 1.0 111.28 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.504 ' H ' ' C ' ' A' ' 75' ' ' GLY . 25.3 p -87.98 120.85 29.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.815 0.34 . . . . 1.0 110.606 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 29.5 mtt -83.25 87.95 6.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.501 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.8 mm -88.61 159.15 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.656 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.513 ' CE1' ' O ' ' A' ' 40' ' ' ALA . 5.3 p90 -150.08 175.89 11.31 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.219 178.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.466 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 31.3 t -157.44 -175.59 5.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.626 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.466 ' N ' ' OG ' ' A' ' 81' ' ' SER . 59.5 tp -73.31 151.69 41.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.454 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.419 ' OD2' ' OD1' ' A' ' 84' ' ' ASP . 15.8 t70 -46.79 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.734 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.419 ' OD1' ' OD2' ' A' ' 83' ' ' ASP . 8.3 m-20 -157.82 -167.92 2.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.994 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.405 HG12 ' H ' ' A' ' 85' ' ' ILE . 13.8 pt -70.02 5.82 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.629 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.415 ' H ' ' C ' ' A' ' 84' ' ' ASP . 33.6 m170 -83.12 -93.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.886 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.5 t -45.89 -23.27 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.912 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.85 -51.94 20.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.969 -179.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.1 m -77.97 -41.09 37.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.056 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 35.3 ttp -44.73 -42.22 7.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.967 -178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.451 ' C ' HD23 ' A' ' 91' ' ' LEU . 3.6 tt -72.1 -57.87 3.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.207 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -60.75 -10.53 5.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -89.3 -25.92 21.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.951 0.405 . . . . 1.0 110.605 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.88 -61.3 1.86 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.627 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 95' ' ' ILE . 13.9 pt -62.02 -22.38 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.65 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -70.3 -41.67 73.02 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.707 -0.397 . . . . 1.0 110.337 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 97' ' ' HIS . 57.9 t60 -73.2 -6.19 44.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.55 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.57 -40.54 97.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.004 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -152.24 131.99 13.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.519 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -171.82 60.91 0.31 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.739 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -75.83 149.99 34.13 Favored 'Trans proline' 0 C--N 1.306 -1.661 0 C-N-CA 122.553 2.169 . . . . 1.0 111.853 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm 59.04 73.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.401 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.049 -0.977 . . . . 1.0 110.554 -179.869 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.3 m120 . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 56.4 m -50.2 -23.49 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.808 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -61.95 -28.34 69.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.331 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.457 ' C ' ' N ' ' B' ' 14' ' ' GLU . 95.6 m -79.37 -48.92 13.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.739 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.501 ' N ' HD12 ' B' ' 13' ' ' LEU . 8.6 mp -48.22 -16.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 1.0 109.914 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.457 ' N ' ' C ' ' B' ' 12' ' ' THR . 42.2 mt-10 -84.38 -52.81 5.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.354 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' B' ' 18' ' ' GLU . 85.6 mtm-85 -60.82 -46.99 88.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.941 -0.572 . . . . 1.0 111.498 -177.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.462 HG23 ' N ' ' B' ' 17' ' ' THR . 32.8 m -42.7 -39.75 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.641 0.258 . . . . 1.0 111.273 -178.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.462 ' N ' HG23 ' B' ' 16' ' ' VAL . 18.5 p -62.36 -34.12 76.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 1.0 110.776 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' B' ' 15' ' ' ARG . 13.2 tm-20 -68.76 -22.46 64.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.615 -179.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.3 mt -74.24 -33.93 35.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.948 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -77.86 -59.56 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.851 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -46.86 -32.3 3.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.103 -178.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.454 ' O ' ' CZ ' ' B' ' 28' ' ' ARG . . . -59.31 -22.1 60.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.091 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 mt -94.0 30.32 1.9 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.71 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.42 -87.16 0.02 OUTLIER Glycine 0 CA--C 1.527 0.785 0 N-CA-C 111.536 -0.626 . . . . 1.0 111.536 -178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 26' ' ' TYR . 9.7 t0 -41.88 150.46 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.857 0.36 . . . . 1.0 111.265 -177.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.446 ' N ' ' OD1' ' B' ' 25' ' ' ASP . 41.3 p90 -86.94 -14.72 41.0 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.624 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.526 ' OD1' ' N ' ' B' ' 28' ' ' ARG . 22.0 p30 -79.49 -39.25 32.56 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.962 -0.295 . . . . 1.0 111.248 -177.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.526 ' N ' ' OD1' ' B' ' 27' ' ' ASN . 11.2 ptm180 -68.15 -37.5 81.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 1.0 111.0 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 17.3 tt -77.0 -22.16 14.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.674 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 59.4 ttt180 -67.91 -28.3 67.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.967 0.413 . . . . 1.0 110.133 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 83.7 mt -76.26 -40.41 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.304 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 46.0 mtt -57.26 -30.07 64.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.187 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -71.07 -28.94 64.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.973 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.447 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -68.72 -55.39 11.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.875 -0.602 . . . . 1.0 109.949 178.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 mt -53.52 -23.1 9.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.942 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -71.17 -50.07 37.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.864 0.364 . . . . 1.0 110.548 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.9 t -57.6 -34.87 48.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.477 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t 170.26 156.18 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.411 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.75 159.46 34.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.509 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.23 172.26 18.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.702 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 94.1 p -92.85 152.0 19.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.415 178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.574 HG13 ' N ' ' B' ' 43' ' ' GLY . 14.1 p -50.58 -47.19 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.958 -179.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.574 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -65.75 -30.88 78.22 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 120.967 -0.635 . . . . 1.0 111.549 -177.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -75.73 -36.98 59.78 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.734 0.272 . . . . 1.0 111.734 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.651 HD12 ' C ' ' B' ' 45' ' ' ILE . 2.4 pp -81.08 -12.7 12.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 121.028 -0.269 . . . . 1.0 110.834 -178.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.637 ' N ' HD12 ' B' ' 45' ' ' ILE . 5.3 t -60.35 -5.84 1.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.92 0.391 . . . . 1.0 110.375 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.413 ' H ' ' C ' ' B' ' 45' ' ' ILE . 1.6 m-70 -82.3 -10.36 59.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.561 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -73.84 -55.57 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.333 179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 pp -172.99 -17.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.551 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.415 ' O ' ' O ' ' B' ' 46' ' ' SER . 34.1 m120 -85.69 143.76 28.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.147 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.436 HD12 ' C ' ' B' ' 51' ' ' LEU . 0.3 OUTLIER -149.48 29.92 0.76 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.036 -0.357 . . . . 1.0 110.036 -178.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.406 ' C ' ' N ' ' B' ' 54' ' ' SER . 10.9 t -142.27 96.13 2.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.203 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -48.66 -17.11 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.86 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.406 ' N ' ' C ' ' B' ' 52' ' ' SER . 32.6 t -85.33 -40.73 16.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.431 -0.35 . . . . 1.0 111.303 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -73.86 -42.77 60.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.15 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.53 HG13 ' N ' ' B' ' 57' ' ' SER . 10.9 p -72.39 -43.54 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.978 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.53 ' N ' HG13 ' B' ' 56' ' ' VAL . 42.6 t -59.41 -23.98 63.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.954 0.407 . . . . 1.0 110.529 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -78.64 -55.1 5.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.257 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -47.38 -50.81 21.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.855 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 27.2 mt -55.16 -32.11 61.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.891 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -69.5 -38.17 77.51 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.776 -0.369 . . . . 1.0 110.735 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 13.9 mt -69.64 -36.15 75.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.682 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 tp -76.54 -29.55 56.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.379 . . . . 1.0 110.362 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -51.13 -50.0 59.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 1.0 109.97 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.44 ' C ' ' H ' ' B' ' 67' ' ' HIS . 18.4 p -50.77 -40.5 55.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.773 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 t -64.1 -1.1 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.115 0.484 . . . . 1.0 109.836 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.44 ' H ' ' C ' ' B' ' 65' ' ' SER . 14.4 t60 73.0 15.66 4.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.294 -0.866 . . . . 1.0 112.25 175.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' B' ' 68' ' ' LEU . 7.3 mp -83.36 -103.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.947 -0.39 . . . . 1.0 109.947 177.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 31.6 m -52.95 157.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.956 0.408 . . . . 1.0 110.952 -178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -152.73 126.96 9.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.892 -0.594 . . . . 1.0 110.148 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.67 133.21 48.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.696 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -121.22 161.4 21.98 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.177 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -88.79 123.21 32.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.212 179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . 0.415 ' O ' ' OG ' ' B' ' 77' ' ' SER . 39.8 tt0 -152.8 104.25 2.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.538 -179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 56.46 52.03 52.65 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.094 -0.802 . . . . 1.0 111.094 179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 54.98 5.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.612 0.244 . . . . 1.0 111.095 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.492 ' H ' ' C ' ' B' ' 75' ' ' GLY . 13.1 p -107.81 120.1 41.31 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.774 0.321 . . . . 1.0 110.262 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.421 ' O ' ' CE1' ' B' ' 80' ' ' TYR . 49.9 mtt -85.49 87.71 7.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.549 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.466 HG22 ' N ' ' B' ' 80' ' ' TYR . 97.3 mt -80.64 155.9 4.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.389 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.466 ' N ' HG22 ' B' ' 79' ' ' ILE . 9.0 m-85 -125.3 137.96 54.08 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.418 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 11.0 m -147.99 178.28 8.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.421 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 11.6 mt -69.76 164.28 23.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.88 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -81.08 -45.76 16.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.582 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' B' ' 85' ' ' ILE . 20.3 t70 -172.68 -169.29 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.199 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.527 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 12.0 mm -77.68 86.35 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 1.0 110.611 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' B' ' 85' ' ' ILE . 29.3 m80 -159.39 -86.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.827 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 24.6 m -46.09 -20.36 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.532 . . . . 1.0 111.328 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.07 -55.37 35.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.797 0.332 . . . . 1.0 110.829 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 69.4 p -66.89 -30.78 71.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.053 -178.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 26.3 ttt -51.85 -53.47 40.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.475 -0.33 . . . . 1.0 110.646 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 37.1 mt -55.72 -43.85 76.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.466 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -65.85 -67.88 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.869 0.366 . . . . 1.0 110.674 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -41.09 -26.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.311 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.8 -70.25 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.041 -178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.0 tt -60.82 -19.11 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.694 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 45.3 t60 -76.5 -23.83 53.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.337 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.499 ' O ' ' NE2' ' B' ' 100' ' ' HIS . 26.7 t60 -70.41 -56.69 6.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.671 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.42 -48.63 80.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.924 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.508 ' O ' ' CG ' ' B' ' 100' ' ' HIS . 43.8 t-20 -79.44 146.1 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.958 -178.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' B' ' 99' ' ' ASN . 56.6 m-70 -162.38 151.53 12.95 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.887 178.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -77.17 -49.43 0.1 Allowed 'Trans proline' 0 C--N 1.311 -1.444 0 C-N-CA 121.919 1.746 . . . . 1.0 112.205 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -48.93 -74.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.79 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 117.996 -1.002 . . . . 1.0 110.738 -179.391 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 9' ' ' ASN . 1.1 m-20 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.0 p -45.94 -17.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.59 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' ASN . 6.1 t70 -78.38 -64.79 1.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.512 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.3 p -57.4 -28.44 63.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.483 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -58.11 -60.34 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.117 179.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.6 tp10 -50.18 -24.43 2.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.591 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -78.82 -20.7 49.07 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.819 -0.353 . . . . 1.0 110.908 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.7 -18.18 23.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.379 . . . . 1.0 110.111 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.434 ' OG1' ' N ' ' A' ' 18' ' ' GLU . 23.6 p -89.14 -59.61 2.18 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.388 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.434 ' N ' ' OG1' ' A' ' 17' ' ' THR . 77.4 tt0 -39.66 -34.65 0.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.915 -177.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 pt -62.31 -35.61 70.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.428 -0.509 . . . . 1.0 110.524 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -79.46 -59.28 2.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.709 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HZ3' ' HB3' ' A' ' 21' ' ' LYS . 6.7 mmmm -48.95 -28.51 3.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.267 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.52 -26.77 14.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.645 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.598 ' N ' HD12 ' A' ' 23' ' ' LEU . 7.1 mp -92.63 -17.51 24.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.175 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.34 73.39 0.01 OUTLIER Glycine 0 CA--C 1.527 0.831 0 CA-C-N 115.884 -0.598 . . . . 1.0 111.712 -177.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' LEU . 30.5 t0 -173.79 123.52 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.96 0.41 . . . . 1.0 110.251 178.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -53.27 -31.95 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.753 -0.658 . . . . 1.0 112.316 -176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.473 ' ND2' ' CG ' ' A' ' 25' ' ' ASP . 10.7 p30 -82.03 -38.84 24.39 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.853 -0.339 . . . . 1.0 111.712 -176.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.769 ' HE ' HE22 ' A' ' 59' ' ' GLN . 99.0 mtt180 -73.2 -33.24 65.27 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.735 -0.386 . . . . 1.0 111.128 -178.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 10.0 tp -74.08 -36.29 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.374 . . . . 1.0 111.319 -176.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -70.58 -34.26 72.0 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.939 -0.304 . . . . 1.0 111.598 -177.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 23.9 pt -74.72 -23.83 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.613 -0.435 . . . . 1.0 110.226 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.1 tpt -68.55 -35.59 77.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.24 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -67.14 -27.63 67.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.452 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.428 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -73.94 -60.31 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.223 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.7 mt -50.81 -17.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.491 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.5 m -74.16 -65.1 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.708 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.6 m -54.4 -37.78 38.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.703 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.5 p -169.3 151.14 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 1.0 110.716 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -65.66 169.71 5.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.554 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.86 144.29 18.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.524 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.8 t -79.05 172.2 14.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.316 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.595 HG13 ' N ' ' A' ' 43' ' ' GLY . 7.4 p -59.47 -55.83 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.803 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.595 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -74.54 -20.1 79.66 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.767 -0.73 . . . . 1.0 111.645 -177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -75.97 -37.72 58.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.807 0.303 . . . . 1.0 111.741 -176.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.9 tt -77.73 -13.54 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.599 -0.44 . . . . 1.0 110.454 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.3 t -59.36 -57.73 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.643 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -58.21 -19.56 34.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.681 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -72.71 3.24 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.05 0.452 . . . . 1.0 110.051 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.518 ' O ' HD23 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -155.32 -3.59 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.488 -0.56 . . . . 1.0 109.488 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.6 t30 51.67 82.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.811 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.424 ' CD2' HD22 ' A' ' 55' ' ' ASN . 2.0 tp -165.09 -167.78 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.132 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.3 t -85.19 152.11 23.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.504 -0.316 . . . . 1.0 110.576 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -76.83 -20.3 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.954 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.438 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 22.9 p -75.07 -28.47 60.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.779 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.424 HD22 ' CD2' ' A' ' 51' ' ' LEU . 99.2 m-20 -69.94 -44.91 68.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.923 -179.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 57' ' ' SER . 24.8 m -76.1 -40.28 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.808 -179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.469 ' N ' HG23 ' A' ' 56' ' ' VAL . 58.4 m -55.51 -31.99 62.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.102 0.477 . . . . 1.0 110.299 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 54' ' ' SER . 5.4 m-70 -69.12 -35.42 76.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.35 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.769 HE22 ' HE ' ' A' ' 28' ' ' ARG . 22.4 mm100 -64.81 -51.4 62.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.957 -179.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 60' ' ' LEU . 20.5 mt -46.8 -31.91 3.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.624 -0.262 . . . . 1.0 111.044 -178.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -69.24 -42.34 75.79 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.499 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 14.0 mt -61.56 -55.93 25.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.604 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.548 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.4 mp -55.3 -32.48 62.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.542 -0.299 . . . . 1.0 110.273 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -66.03 -30.48 71.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.712 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 59.6 p -67.44 -39.24 85.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.671 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.489 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.4 t -80.35 35.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.437 . . . . 1.0 110.314 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 67' ' ' HIS . 58.0 t-80 47.72 11.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 66' ' ' VAL . 7.3 tp -101.79 144.01 31.0 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.935 -0.394 . . . . 1.0 109.935 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 70' ' ' LYS . 59.8 t 59.22 156.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 1.0 110.86 -178.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.486 ' N ' HG12 ' A' ' 69' ' ' VAL . 25.3 pttm -164.08 157.52 18.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.26 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.74 150.22 28.64 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.923 0.392 . . . . 1.0 110.838 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -147.79 114.03 5.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.958 -0.565 . . . . 1.0 109.933 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 145.06 48.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.344 0.592 . . . . 1.0 111.603 -173.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tm0? -152.84 100.4 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.941 -1.027 . . . . 1.0 110.059 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.93 -116.51 4.35 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.707 -0.957 . . . . 1.0 110.707 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -111.67 -29.17 7.82 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.907 0.384 . . . . 1.0 110.254 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.0 m -88.43 149.3 23.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.819 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.518 ' O ' ' CE1' ' A' ' 80' ' ' TYR . 65.7 mtt -96.94 102.92 14.79 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.123 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.726 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.6 mp -86.46 135.78 24.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.507 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.518 ' CE1' ' O ' ' A' ' 78' ' ' MET . 19.6 m-85 -118.19 152.9 34.77 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.063 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 91.1 p -159.17 -173.31 4.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.673 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.545 HD22 ' N ' ' A' ' 82' ' ' LEU . 3.0 mm? -69.87 156.24 39.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.368 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -65.52 -38.77 90.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.331 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 17.8 t70 -165.38 -176.9 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.712 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.457 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 13.8 pt -83.35 9.01 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.521 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.413 ' C ' ' N ' ' A' ' 88' ' ' ALA . 50.5 m170 -83.37 -82.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.835 -179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.0 m -46.14 -19.72 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.802 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 86' ' ' HIS . . . -60.2 -53.47 57.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.521 179.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.5 p -58.8 -46.24 88.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.638 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 50.9 ttp -46.66 -40.06 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.631 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 10.6 tp -61.47 -49.49 76.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.469 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.515 ' O ' ' N ' ' A' ' 94' ' ' ALA . 9.1 mtpm? -61.38 -60.69 3.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.82 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -43.36 -17.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.214 -178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -77.71 -49.42 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.977 -0.289 . . . . 1.0 110.723 -179.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.626 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.6 mp -64.09 -13.9 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 109.64 -0.504 . . . . 1.0 109.64 178.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 51.1 m170 -75.13 -64.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.014 -178.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -55.77 -21.35 18.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 1.0 110.547 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.91 -26.19 29.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.421 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.522 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 25.1 t-20 -81.26 88.19 6.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.624 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 99' ' ' ASN . 26.4 m80 -161.46 67.79 2.3 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.493 179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -47.52 -55.63 3.79 Favored 'Trans proline' 0 C--N 1.307 -1.629 0 C-N-CA 122.695 2.264 . . . . 1.0 112.434 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -66.06 -137.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.538 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 118.066 -0.968 . . . . 1.0 110.462 -179.647 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.458 ' C ' ' H ' ' B' ' 11' ' ' ASP . 2.7 m120 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.355 -0.609 . . . . 1.0 109.355 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.35 -9.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.923 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' B' ' 9' ' ' ASN . 22.1 m-20 -58.94 -36.24 74.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.578 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.531 HG23 ' N ' ' B' ' 13' ' ' LEU . 13.6 t -73.69 -44.64 56.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.605 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.531 ' N ' HG23 ' B' ' 12' ' ' THR . 38.3 tp -45.55 -26.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.454 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -88.72 -45.3 9.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.663 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -59.3 -45.88 90.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.943 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.427 HG23 ' N ' ' B' ' 17' ' ' THR . 34.0 m -50.73 -39.35 18.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.549 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.427 ' N ' HG23 ' B' ' 16' ' ' VAL . 18.2 m -55.64 -37.05 67.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.546 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -63.68 -27.05 68.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.828 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.472 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 64.2 mt -65.95 -38.1 81.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.495 -0.32 . . . . 1.0 110.768 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.429 ' C ' ' N ' ' B' ' 22' ' ' ALA . 75.0 m-85 -67.64 -62.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 1.0 110.644 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -49.6 -14.71 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.796 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -64.04 -37.42 87.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.066 -178.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 mt -74.18 -76.12 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.578 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.73 -102.64 0.1 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.624 -0.59 . . . . 1.0 111.624 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.26 119.33 0.79 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 1.0 111.702 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.577 ' CE1' ' ND2' ' B' ' 27' ' ' ASN . 41.2 p90 -65.6 -16.24 63.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.182 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.577 ' ND2' ' CE1' ' B' ' 26' ' ' TYR . 69.4 m-80 -79.32 -31.23 43.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.952 0.406 . . . . 1.0 110.371 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -66.77 -43.1 84.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.914 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 15.7 pt -73.32 -25.45 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.22 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -65.76 -31.81 72.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.058 0.456 . . . . 1.0 110.196 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 87.5 mt -73.36 -28.36 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.203 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 26.2 ttt -70.83 -36.95 73.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -61.7 -63.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.079 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 pp -58.27 -22.8 53.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.467 -0.333 . . . . 1.0 111.173 -177.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 12.2 tp -81.27 -42.29 20.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.957 0.408 . . . . 1.0 110.086 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 28.5 t -53.62 -40.71 65.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.853 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 24.1 m -72.75 -28.75 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.33 . . . . 1.0 110.7 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 73.1 m -161.01 111.89 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.818 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -46.39 167.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.613 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -155.91 147.83 23.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.921 0.391 . . . . 1.0 110.837 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.45 ' O ' ' CD1' ' B' ' 45' ' ' ILE . 9.5 m -79.25 -159.0 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.727 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 72.1 t -80.37 -65.63 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.75 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' B' ' 45' ' ' ILE . . . -62.15 -49.85 70.87 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.543 -0.623 . . . . 1.0 111.543 -177.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -42.94 -20.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 O-C-N 122.791 -0.241 . . . . 1.0 111.405 -178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' B' ' 43' ' ' GLY . 90.7 mt -81.87 -33.57 12.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.552 -0.295 . . . . 1.0 111.208 -178.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 12.8 p -46.72 -42.7 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 1.0 111.097 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.44 ' ND1' ' N ' ' B' ' 47' ' ' HIS . 0.8 OUTLIER -69.33 -15.62 63.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.478 -178.742 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -73.58 -57.35 4.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.872 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 36.5 tp -173.88 -16.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.027 0.441 . . . . 1.0 110.537 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.594 HD22 ' N ' ' B' ' 50' ' ' ASN . 1.6 m120 -81.33 -11.19 59.39 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.398 0.518 . . . . 1.0 112.398 -176.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.498 ' N ' HD12 ' B' ' 51' ' ' LEU . 10.2 mp 42.41 -89.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.911 0.386 . . . . 1.0 110.891 -179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.542 ' N ' ' O ' ' B' ' 50' ' ' ASN . 13.2 p -56.39 128.64 36.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.366 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -76.04 -24.73 55.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.224 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.4 m -72.15 -27.91 62.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.445 -0.343 . . . . 1.0 110.874 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -69.88 -44.5 69.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.144 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.14 -36.33 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.778 0.323 . . . . 1.0 110.86 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 14.5 m -62.88 -38.34 90.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.711 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 51.5 t60 -69.06 -58.42 4.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.896 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -54.25 -40.17 67.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.962 -178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.7 -31.67 71.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.589 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -67.51 -32.6 73.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.871 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 8.8 tp -67.27 -38.56 85.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.718 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 13.6 mt -65.58 -25.69 67.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.779 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -74.68 -28.5 60.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.553 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 6.8 m -66.94 -35.67 80.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.611 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.443 ' O ' HG12 ' B' ' 66' ' ' VAL . 25.1 t -79.44 -0.78 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.354 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 75.94 8.12 3.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.458 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' B' ' 69' ' ' VAL . 20.6 mt -62.41 -118.09 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.388 179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' B' ' 68' ' ' LEU . 33.5 m -41.79 168.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.961 0.41 . . . . 1.0 111.421 -178.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -141.32 145.85 35.98 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.158 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . 0.428 ' HB2' ' CD2' ' B' ' 80' ' ' TYR . . . -106.46 134.9 48.89 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.977 -178.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 16.6 ttpp -105.38 131.55 52.68 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.066 -0.516 . . . . 1.0 109.881 177.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -89.8 120.49 31.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.431 -0.349 . . . . 1.0 110.846 -179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -137.41 88.84 2.37 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 66.67 -164.2 42.68 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.443 -1.063 . . . . 1.0 110.443 -178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -62.86 -9.88 11.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 1.0 110.384 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 43.9 t -96.28 115.64 27.75 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.757 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 54.5 mtm -98.43 140.27 32.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.177 178.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.6 pt -139.51 162.25 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.398 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' B' ' 80' ' ' TYR . 8.5 m-85 -131.49 165.97 22.39 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.468 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 18.8 m -159.84 -172.57 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.708 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 25.8 mt -61.78 172.77 1.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.935 0.398 . . . . 1.0 110.785 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.511 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 0.5 OUTLIER -81.49 -72.99 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.497 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.548 ' CG ' ' HD1' ' B' ' 86' ' ' HIS . 30.2 p30 -161.91 -170.76 2.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 1.0 109.764 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.514 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 18.3 pt -71.88 58.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.882 -179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.548 ' HD1' ' CG ' ' B' ' 84' ' ' ASP . 33.1 m80 -146.03 -41.59 0.21 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.274 178.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.426 HG23 ' N ' ' B' ' 88' ' ' ALA . 28.8 m -81.12 -37.15 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.727 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.426 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -67.42 -34.39 77.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.848 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 25.7 p -67.07 -64.72 0.8 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.686 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -46.96 -22.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.839 -178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -67.76 0.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.357 -178.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -65.74 -8.87 23.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.098 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.412 ' O ' ' OE1' ' B' ' 93' ' ' GLN . 1.3 tm0? -85.47 -31.33 22.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.877 0.37 . . . . 1.0 110.208 179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.18 -52.03 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.261 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 9.9 tp -53.38 -26.93 13.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.008 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -68.86 -42.19 77.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.036 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -70.84 -26.07 63.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.64 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.54 -33.78 60.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.762 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.525 ' O ' ' CG ' ' B' ' 100' ' ' HIS . 2.7 t-20 -73.75 75.58 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.812 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' B' ' 99' ' ' ASN . 37.5 m80 -159.91 66.0 2.61 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.045 179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -48.3 115.57 1.62 Allowed 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.398 2.065 . . . . 1.0 111.916 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -63.96 179.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.565 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.98 -1.009 . . . . 1.0 110.584 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 109.431 -0.581 . . . . 1.0 109.431 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 t -53.96 -28.68 38.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.723 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -68.12 -61.43 1.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.259 179.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.4 p -55.36 -32.97 63.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.406 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.552 ' O ' HD23 ' A' ' 13' ' ' LEU . 1.2 tt -63.19 -17.08 62.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.252 0.549 . . . . 1.0 109.755 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -80.86 -14.68 57.81 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.869 -0.789 . . . . 1.0 108.869 174.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -96.55 -32.15 12.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.075 -0.966 . . . . 1.0 111.851 -178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.7 m -73.26 -12.81 15.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.258 -0.577 . . . . 1.0 110.562 -178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.9 m -88.75 -70.12 0.67 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.564 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -46.46 -31.55 2.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.489 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.485 HG23 ' N ' ' A' ' 20' ' ' PHE . 17.8 tt -51.78 -42.32 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.826 0.345 . . . . 1.0 110.703 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.485 ' N ' HG23 ' A' ' 19' ' ' ILE . 59.2 m-85 -73.42 -49.52 26.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.803 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -46.66 -25.83 0.79 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.922 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.22 68.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.917 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -85.91 -6.76 59.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.735 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -42.58 -64.39 1.62 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.405 -0.678 . . . . 1.0 111.405 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -44.6 110.86 0.25 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.877 0.37 . . . . 1.0 110.963 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -63.26 -18.85 64.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.938 -179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -77.79 -38.25 47.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.79 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -72.77 -50.71 22.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.991 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.427 HD12 ' SD ' ' A' ' 32' ' ' MET . 10.2 tp -54.98 -28.76 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.581 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -68.69 -28.49 66.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.693 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 77.9 mt -75.4 -33.05 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.415 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.427 ' SD ' HD12 ' A' ' 29' ' ' ILE . 52.6 mtt -65.06 -35.41 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.571 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.07 -39.07 88.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.661 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.66 -59.18 4.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.384 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 41.2 mt -54.27 -20.39 6.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.728 -179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -70.02 -43.52 71.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.465 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.0 t -76.55 -29.44 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.537 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.0 p -173.45 130.87 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.826 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.55 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -72.13 155.16 40.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.496 179.162 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.36 -177.59 6.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.841 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 m -95.37 155.85 16.57 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.197 178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -49.02 -42.26 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.398 -0.364 . . . . 1.0 111.304 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.99 -42.38 94.75 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 121.198 -0.525 . . . . 1.0 112.368 -175.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -70.08 -34.76 73.58 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 122.636 -0.332 . . . . 1.0 111.746 -175.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.484 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 31.0 pt -73.35 -13.21 16.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.276 -0.57 . . . . 1.0 109.981 179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 50' ' ' ASN . 14.9 t -57.65 -15.29 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.455 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -60.32 -10.83 5.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.023 0.439 . . . . 1.0 110.167 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.484 ' NE2' ' O ' ' A' ' 45' ' ' ILE . 2.8 mp0 -96.01 -57.17 2.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.534 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.598 HD12 ' N ' ' A' ' 49' ' ' LEU . 9.4 mp -82.58 -38.06 24.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.668 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' SER . 7.5 p30 43.87 90.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.633 -177.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 tp -169.66 -143.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.931 -0.577 . . . . 1.0 109.706 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 t -73.64 134.75 43.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 1.0 110.395 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -74.68 -18.76 60.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.748 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.519 ' O ' ' CD2' ' A' ' 58' ' ' HIS . 76.9 p -80.77 -25.06 38.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.474 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -74.04 -44.45 54.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.044 -0.525 . . . . 1.0 111.027 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.4 p -70.75 -35.24 59.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.821 -179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 96.8 p -70.87 -32.8 69.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.84 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.519 ' CD2' ' O ' ' A' ' 54' ' ' SER . 36.9 m170 -65.63 -49.52 68.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.781 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.6 -20.97 63.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.807 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.68 -35.97 82.31 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.844 0.354 . . . . 1.0 110.055 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -71.13 -37.34 72.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.407 179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.506 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.3 tt -50.22 -51.37 44.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.242 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 13.6 mt -63.99 -19.84 65.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.255 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 75.4 tttt -69.76 -14.59 62.85 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.529 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.475 ' C ' ' H ' ' A' ' 67' ' ' HIS . 18.5 p -73.7 -52.62 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.535 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.406 HG23 ' H ' ' A' ' 68' ' ' LEU . 9.2 m -68.38 6.89 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.417 179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.475 ' H ' ' C ' ' A' ' 65' ' ' SER . 54.6 t60 58.57 13.99 2.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.024 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.406 ' H ' HG23 ' A' ' 66' ' ' VAL . 6.7 tp -74.52 -11.81 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 1.0 110.421 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 70' ' ' LYS . 47.0 t -138.61 158.23 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.28 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' N ' HG12 ' A' ' 69' ' ' VAL . 52.6 tttp -143.96 135.33 25.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.16 -179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.89 143.99 31.77 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.74 -178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -127.56 143.82 51.13 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.146 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.8 ttp180 -90.22 124.87 35.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.6 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.42 ' O ' ' OE1' ' A' ' 74' ' ' GLN . 11.0 tm0? -148.69 89.18 1.67 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.266 -0.425 . . . . 1.0 109.86 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.61 176.45 42.68 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.319 -1.112 . . . . 1.0 110.319 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -49.62 -19.14 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 1.0 110.446 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 m -91.13 134.39 34.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.749 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.526 ' O ' ' CE2' ' A' ' 80' ' ' TYR . 24.9 mtt -95.66 96.09 8.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.318 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.4 mt -80.19 149.95 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.561 -179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.526 ' CE2' ' O ' ' A' ' 78' ' ' MET . 55.4 m-85 -130.55 149.54 52.16 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.07 179.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 82' ' ' LEU . 92.0 p -159.22 -172.17 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 1.0 110.705 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.42 ' O ' ' O ' ' A' ' 81' ' ' SER . 14.5 mt -59.74 -145.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.543 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 84' ' ' ASP . 40.4 p30 -173.52 -18.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.863 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 83' ' ' ASP . 6.9 m-20 -160.96 149.91 16.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.888 0.375 . . . . 1.0 110.522 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 12.5 pt -81.57 63.61 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.655 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.518 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 37.5 m80 -149.35 -25.73 0.28 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.636 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.532 HG23 ' N ' ' A' ' 88' ' ' ALA . 34.8 m -70.39 -44.85 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.817 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.532 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -61.53 -52.39 64.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.752 -179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 93' ' ' GLN . 11.2 p -54.99 -43.85 73.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.83 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 9.9 ttt -46.43 -47.91 18.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 1.0 111.015 -179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.3 mt -66.05 -53.66 35.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.832 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -70.68 -16.26 62.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.124 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 89' ' ' THR . 41.0 tt0 -83.14 -32.2 26.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.92 0.391 . . . . 1.0 110.623 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.41 -55.67 7.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.692 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.0 tt -58.22 -25.79 27.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.692 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -67.31 -31.61 72.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.843 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -72.45 -60.25 2.32 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.775 -0.37 . . . . 1.0 110.692 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.33 -77.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.852 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -87.46 66.79 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.001 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.597 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 12.3 t-160 -76.78 -35.26 1.42 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.639 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 100' ' ' HIS . 40.7 Cg_endo -91.1 133.29 1.58 Allowed 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 122.089 1.859 . . . . 1.0 112.263 -178.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -72.79 -20.72 61.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.602 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 117.939 -1.029 . . . . 1.0 110.578 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.46 -0.57 . . . . 1.0 109.46 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.1 p -88.3 -37.07 16.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.791 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -72.97 -34.49 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.775 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.1 m -55.65 -67.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.766 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.479 ' N ' HD12 ' B' ' 13' ' ' LEU . 8.3 mp -45.38 -35.09 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.439 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.17 -46.69 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.039 0.447 . . . . 1.0 110.636 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 51.5 ttm-85 -64.15 -30.83 71.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.859 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 83.5 t -67.33 -63.11 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.425 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.8 t -48.65 -36.1 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.53 -0.468 . . . . 1.0 110.666 -177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -59.47 -24.15 63.33 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.792 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 84.2 mt -62.89 -56.95 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.727 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -53.51 -54.03 42.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.671 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -45.1 -37.79 4.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.936 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.56 -31.51 68.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.666 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.584 HD12 ' N ' ' B' ' 23' ' ' LEU . 7.1 mp -92.23 -17.85 24.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 1.0 109.959 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.11 75.29 0.01 OUTLIER Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.18 -0.768 . . . . 1.0 111.18 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' B' ' 23' ' ' LEU . 11.2 m-20 -167.08 164.45 15.83 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.529 -0.545 . . . . 1.0 109.529 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -88.18 -71.57 0.57 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.919 0.39 . . . . 1.0 111.968 -177.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.456 HD21 HD22 ' B' ' 49' ' ' LEU . 13.7 t30 -66.39 -22.02 66.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.785 -0.643 . . . . 1.0 112.419 -173.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -73.3 -33.19 65.06 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.557 -0.457 . . . . 1.0 110.985 -178.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' B' ' 25' ' ' ASP . 82.6 mt -71.22 -33.72 51.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.964 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -64.82 -29.93 70.91 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.699 -0.4 . . . . 1.0 110.582 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 89.1 mt -74.78 -53.5 16.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.596 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 54.2 mtt -47.49 -42.31 22.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.665 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -55.66 -56.42 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.692 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.522 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -66.2 -38.44 87.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.103 0.477 . . . . 1.0 110.398 -179.043 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.434 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -59.08 -62.47 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.637 -178.737 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 15.8 m -48.91 -64.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.753 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 22.8 m -50.89 -22.3 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 1.0 112.012 -175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 24.4 t -166.22 112.55 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.26 -0.576 . . . . 1.0 111.693 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -60.56 147.83 40.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.444 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.72 178.23 10.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.568 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 22.1 t -96.63 157.51 15.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.136 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 88.8 t -51.07 -50.18 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.805 0.336 . . . . 1.0 110.642 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.07 -43.45 95.15 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.419 -0.673 . . . . 1.0 111.419 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -67.0 -32.43 73.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.713 0.292 . . . . 1.0 110.883 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 94.5 mt -70.13 -23.38 25.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.144 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.524 ' O ' ' N ' ' B' ' 50' ' ' ASN . 27.4 t -48.19 -48.14 34.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 1.0 110.504 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -51.25 -19.33 1.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.927 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -90.74 -22.23 21.18 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.623 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.456 HD22 HD21 ' B' ' 27' ' ' ASN . 10.7 tp -160.02 55.8 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.204 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' B' ' 46' ' ' SER . 3.1 m120 -43.27 106.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.317 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.461 ' C ' HD23 ' B' ' 51' ' ' LEU . 2.0 tt -168.38 108.16 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.361 178.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.437 ' C ' ' O ' ' B' ' 51' ' ' LEU . 4.6 m 5.14 111.74 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.72 1.262 . . . . 1.0 113.981 -178.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.592 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 20.2 mp0 -44.48 -41.98 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.937 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 34.1 t -44.34 -38.97 4.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 1.0 110.908 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -70.02 -42.19 73.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.821 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 57.0 t -71.93 -38.3 64.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.033 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -57.92 -31.95 67.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.495 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.7 m170 -78.08 -52.07 9.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.246 178.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -55.79 -53.27 58.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.728 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 tp -52.43 -35.24 51.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 1.0 110.836 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -57.83 -27.71 63.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.694 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 27.4 tp -81.89 -45.12 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.694 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.522 HD12 ' N ' ' B' ' 63' ' ' LEU . 10.4 mp -61.55 -37.43 83.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.663 -178.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -75.35 -18.8 59.9 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.822 -0.351 . . . . 1.0 110.336 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.464 ' C ' ' H ' ' B' ' 67' ' ' HIS . 8.1 t -65.81 -54.21 29.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.566 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.53 ' O ' HG22 ' B' ' 66' ' ' VAL . 4.0 p -63.1 -0.49 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.208 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.464 ' H ' ' C ' ' B' ' 65' ' ' SER . 6.7 t-160 71.48 13.7 6.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.668 -0.697 . . . . 1.0 111.287 177.106 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.426 ' H ' HG13 ' B' ' 66' ' ' VAL . 39.3 tp -65.52 -14.49 61.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.122 0.486 . . . . 1.0 109.945 179.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.46 HG12 ' N ' ' B' ' 70' ' ' LYS . 21.9 t -134.41 160.12 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.866 178.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.46 ' N ' HG12 ' B' ' 69' ' ' VAL . 86.5 tttt -140.63 120.95 13.97 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.872 0.367 . . . . 1.0 110.551 -178.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.75 162.06 13.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.027 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -144.69 159.53 42.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.377 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -80.78 99.83 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.704 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -121.0 106.34 11.5 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 109.877 -0.416 . . . . 1.0 109.877 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 66.15 -166.82 36.59 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.195 -1.162 . . . . 1.0 110.195 -177.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -80.02 29.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.786 0.327 . . . . 1.0 110.361 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.415 ' H ' ' C ' ' B' ' 75' ' ' GLY . 19.6 m -139.55 152.92 47.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.071 0.462 . . . . 1.0 110.792 -178.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 7.7 ttt -94.67 120.56 35.09 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.772 -0.649 . . . . 1.0 110.442 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 18.7 tt -109.12 138.97 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.326 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -107.44 135.77 48.35 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.529 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.4 t -161.82 -166.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.366 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.516 ' C ' HD12 ' B' ' 82' ' ' LEU . 0.8 OUTLIER -174.04 177.03 2.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.514 179.448 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.455 ' O ' ' CB ' ' B' ' 84' ' ' ASP . 8.7 m-20 -66.26 -83.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.289 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' B' ' 83' ' ' ASP . 0.6 OUTLIER 97.09 -165.66 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 O-C-N 124.476 1.11 . . . . 1.0 110.429 -179.533 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.428 HD13 HG21 ' B' ' 85' ' ' ILE . 1.0 OUTLIER 81.52 -38.95 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 N-CA-C 109.268 -0.641 . . . . 1.0 109.268 -177.72 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -92.18 -88.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.317 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.502 HG23 ' N ' ' B' ' 88' ' ' ALA . 34.6 m -46.4 -42.57 5.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.092 -178.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.502 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -44.43 -40.0 5.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 1.0 110.828 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 68.2 p -68.15 -36.72 80.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.423 179.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . 0.428 ' N ' ' O ' ' B' ' 87' ' ' VAL . 34.4 ttp -47.14 -35.15 6.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.394 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.8 mt -70.48 -52.8 19.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.406 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.404 ' HZ2' ' HB2' ' B' ' 92' ' ' LYS . 1.0 OUTLIER -63.68 -56.12 18.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.979 -179.739 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -43.05 -30.84 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.189 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.1 -62.71 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.886 -0.326 . . . . 1.0 110.45 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 65.0 mt -61.44 -20.73 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.409 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . 0.428 ' HD1' ' C ' ' B' ' 96' ' ' HIS . 1.2 t-80 -68.87 -54.42 15.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.763 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -67.34 -10.35 50.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.46 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.45 -35.36 25.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.528 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -159.91 114.55 2.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.283 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -68.48 151.66 97.09 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.322 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_exo -39.1 108.56 0.08 OUTLIER 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 121.916 1.744 . . . . 1.0 112.503 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -79.31 110.73 14.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.455 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.553 -179.918 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.46 ' C ' ' N ' ' A' ' 11' ' ' ASP . 11.3 m120 . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.387 -0.597 . . . . 1.0 109.387 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.0 t -46.61 -15.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.676 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.46 ' N ' ' C ' ' A' ' 9' ' ' ASN . 55.4 m-20 -70.68 -59.01 3.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.554 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 28.2 m -62.17 -28.47 69.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.6 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.45 HD13 ' C ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -53.08 -67.18 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.376 -179.585 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.36 -19.82 65.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.408 -177.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -58.3 -33.07 69.06 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.639 -0.424 . . . . 1.0 110.492 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.41 -38.8 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.728 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.0 p -68.87 -38.82 79.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.552 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -56.51 -23.73 41.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.704 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 88.4 mt -71.0 -42.41 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.756 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -70.67 -57.78 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.899 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -49.3 -41.47 38.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.702 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.22 -27.31 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.619 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 24' ' ' GLY . 35.5 mt -71.56 -76.86 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.23 179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . 56.02 157.54 0.01 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.3 -0.72 . . . . 1.0 111.3 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.431 ' O ' ' O ' ' A' ' 24' ' ' GLY . 12.3 m-20 59.14 128.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.382 . . . . 1.0 111.011 179.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 27' ' ' ASN . 42.8 p90 -75.88 -29.86 58.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.489 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.479 HD21 ' CD2' ' A' ' 49' ' ' LEU . 37.7 t-20 -63.57 -40.74 97.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.621 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -65.0 -43.1 93.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.821 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.1 mt -63.16 -20.06 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.795 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -73.59 -31.46 63.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.889 0.376 . . . . 1.0 110.308 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.444 HD13 HE22 ' A' ' 59' ' ' GLN . 69.1 mt -66.22 -38.55 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.139 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.9 tpt -61.8 -31.57 71.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.511 178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -60.13 -44.37 94.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.68 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.2 tp -59.23 -51.06 71.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.516 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.4 mt -46.28 -37.28 7.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.72 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -61.11 -62.52 1.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 1.0 110.847 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.7 t -49.72 -48.93 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.809 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.9 t -166.49 152.27 8.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.822 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 23.7 mp0 -53.88 168.35 0.21 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.524 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.29 132.19 8.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.67 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.4 t -76.34 171.31 14.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.531 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.599 HG13 ' N ' ' A' ' 43' ' ' GLY . 7.0 p -58.27 -56.61 15.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.778 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.599 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -66.28 -41.74 94.5 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.168 -0.773 . . . . 1.0 111.168 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.457 ' O ' ' ND1' ' A' ' 44' ' ' HIS . 19.4 t-80 -47.74 -29.13 2.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.677 0.275 . . . . 1.0 110.778 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.5 mt -75.07 -33.95 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.63 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' ASN . 8.6 t -44.16 -55.01 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.793 0.33 . . . . 1.0 111.031 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 33.7 m80 -67.8 -22.72 65.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.102 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -65.85 -26.18 67.54 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.746 -0.382 . . . . 1.0 110.577 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' CD2' HD21 ' A' ' 27' ' ' ASN . 6.1 tp -164.59 48.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.742 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.471 ' CG ' ' H ' ' A' ' 51' ' ' LEU . 0.4 OUTLIER 54.02 -141.78 0.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.036 178.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.486 HD12 ' N ' ' A' ' 51' ' ' LEU . 10.1 mp 53.79 -175.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.865 -0.42 . . . . 1.0 109.865 -177.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.3 p -128.85 -165.1 1.46 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.578 -178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -73.76 -38.66 64.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.861 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.3 p -48.66 -43.46 36.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.866 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -66.97 -42.52 84.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.928 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.2 t -67.7 -42.61 86.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.673 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.9 p -57.1 -46.08 82.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.371 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -65.99 -30.38 70.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.695 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 61' ' ' LYS . 32.7 tt0 -70.67 -69.13 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.567 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 54.5 mt -44.52 -16.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.902 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 59' ' ' GLN . 5.9 tppt? -74.87 -45.3 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.687 179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 25.1 mt -64.86 -40.72 95.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.636 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.561 HD22 ' N ' ' A' ' 63' ' ' LEU . 3.2 mm? -66.5 -35.61 80.68 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -49.43 -44.88 45.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.594 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.6 t -54.31 -51.33 65.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.533 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.6 t -75.44 -15.46 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.397 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.0 t60 59.18 26.98 15.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.769 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.529 ' O ' HD23 ' A' ' 68' ' ' LEU . 0.9 OUTLIER -67.46 -13.55 62.13 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.754 -0.462 . . . . 1.0 109.754 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.3 m -131.63 146.54 33.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.246 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 81' ' ' SER . 34.7 ttpt -117.77 158.16 25.26 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.315 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -162.27 151.48 15.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.565 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -147.18 128.56 14.89 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.811 -0.44 . . . . 1.0 109.811 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -61.18 152.59 28.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.229 0.538 . . . . 1.0 111.826 -175.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -149.8 83.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.206 -0.907 . . . . 1.0 109.446 178.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.19 -157.64 37.18 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 109.882 -1.287 . . . . 1.0 109.882 -176.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -71.28 -9.73 58.59 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.791 -0.363 . . . . 1.0 110.673 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -93.04 121.93 34.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.788 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.7 mtt -85.81 91.39 8.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.144 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 9.1 tp -81.1 134.86 26.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.056 0.455 . . . . 1.0 110.851 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -115.23 149.27 38.01 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.158 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 70' ' ' LYS . 51.8 p -153.87 -178.77 7.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.554 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.517 ' H ' HD23 ' A' ' 82' ' ' LEU . 0.2 OUTLIER -89.65 175.63 7.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.154 -0.475 . . . . 1.0 109.863 179.635 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' A' ' 84' ' ' ASP . 17.6 t70 -71.45 -97.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.67 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 83' ' ' ASP . 16.4 m-20 -142.82 -135.44 0.1 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.408 -179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.518 ' O ' ' CG ' ' A' ' 86' ' ' HIS . 24.3 mt -88.89 85.03 2.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.725 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 85' ' ' ILE . 41.9 m80 -160.3 -40.0 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.504 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.0 m -83.32 -29.89 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.535 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.76 -58.53 7.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.686 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.47 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 2.8 t -61.05 -29.35 69.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.636 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 31.3 tpp -49.07 -65.55 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.744 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 91' ' ' LEU . 10.2 mp -53.34 -39.63 64.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.488 -179.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -66.25 -71.16 0.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.745 -0.382 . . . . 1.0 110.868 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.623 HE22 ' NE2' ' B' ' 93' ' ' GLN . 34.5 mt-30 -42.18 -26.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.43 -178.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.07 -64.09 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.111 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 19.5 tt -69.1 -9.89 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.872 -177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -68.63 -49.79 56.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.292 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -79.64 -8.89 59.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.775 -178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.68 -13.85 61.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.874 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.521 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 31.0 p30 -172.42 179.75 2.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.564 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 99' ' ' ASN . 93.3 m-70 -160.77 133.85 4.68 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.163 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_exo -41.02 -61.26 0.51 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 121.561 1.507 . . . . 1.0 112.715 178.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? 56.24 104.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.608 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.697 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.446 ' CG ' ' H ' ' B' ' 10' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.298 -0.63 . . . . 1.0 109.298 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.446 ' H ' ' CG ' ' B' ' 9' ' ' ASN . 41.1 p -51.77 -13.34 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 1.0 110.628 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' B' ' 9' ' ' ASN . 31.1 t70 -75.74 -45.89 34.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.487 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 85.0 m -68.35 -54.84 14.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.479 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.516 ' O ' HD13 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -45.7 -29.51 1.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.222 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.419 ' O ' ' OG1' ' B' ' 17' ' ' THR . 30.8 tt0 -65.39 -45.14 85.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.41 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -70.45 -38.67 74.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.181 -178.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.409 ' O ' HG12 ' B' ' 16' ' ' VAL . 40.6 t -64.08 -14.31 15.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.498 -177.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 37.0 p -91.21 -34.14 15.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.85 0.357 . . . . 1.0 110.669 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -72.5 -25.64 61.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 1.0 111.253 -178.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.546 HG23 ' N ' ' B' ' 20' ' ' PHE . 18.7 tt -57.19 -45.32 84.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.815 -0.354 . . . . 1.0 110.745 -179.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.546 ' N ' HG23 ' B' ' 19' ' ' ILE . 89.0 m-85 -71.85 -54.61 9.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.983 -178.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -47.21 -30.85 3.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.529 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.429 ' O ' ' NH1' ' B' ' 28' ' ' ARG . . . -51.72 -30.36 22.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.741 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.591 HD12 ' N ' ' B' ' 23' ' ' LEU . 7.0 mp -75.9 -65.85 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.163 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.33 -96.47 0.01 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.016 -0.834 . . . . 1.0 111.016 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.51 148.99 8.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.334 . . . . 1.0 110.852 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 32.4 p90 -83.0 -24.28 32.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.64 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.455 HD22 ' C ' ' B' ' 27' ' ' ASN . 0.4 OUTLIER -56.62 -34.37 67.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.8 -179.55 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.429 ' NH1' ' O ' ' B' ' 22' ' ' ALA . 85.0 mtt180 -69.89 -27.7 65.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.575 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.4 mt -74.42 -31.91 29.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.879 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 50.8 mtp85 -64.85 -30.8 71.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 1.0 110.721 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.13 -47.25 79.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.53 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 15.5 ttt -48.89 -40.95 31.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.705 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.29 -46.32 80.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.612 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 25.1 tp -53.35 -46.09 69.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.448 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 31.0 mt -76.58 -5.28 47.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.969 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.1 p -84.91 -49.78 8.07 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.75 0.309 . . . . 1.0 110.631 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.02 -32.52 54.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.83 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 40.6 m -170.8 159.16 6.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.683 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -69.47 168.28 14.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.258 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.42 136.42 11.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.772 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 7.7 t -77.95 -159.53 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.641 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.587 ' O ' HG22 ' B' ' 45' ' ' ILE . 76.1 t -77.03 -64.72 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.566 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -68.01 -40.44 88.69 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.162 -0.542 . . . . 1.0 112.025 -176.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -45.69 -23.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.714 -0.286 . . . . 1.0 111.548 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.587 HG22 ' O ' ' B' ' 42' ' ' VAL . 8.7 tt -72.51 -29.93 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 1.0 110.664 -178.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.514 ' O ' ' N ' ' B' ' 50' ' ' ASN . 53.3 p -45.98 -48.55 16.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.592 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -51.07 -27.06 7.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.535 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -96.31 -58.51 2.05 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.384 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.449 ' N ' HD12 ' B' ' 49' ' ' LEU . 10.1 mp -106.89 54.2 0.68 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.151 -0.477 . . . . 1.0 109.735 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' B' ' 46' ' ' SER . 4.4 t-20 -41.35 107.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 1.0 111.285 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 tp -170.4 -154.48 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.949 -0.569 . . . . 1.0 109.502 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.5 t -75.24 132.48 41.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 1.0 110.362 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -69.52 -17.28 63.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.62 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 12.6 t -81.26 -24.97 36.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.632 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.475 HD22 ' N ' ' B' ' 55' ' ' ASN . 1.3 m120 -67.16 -43.2 82.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.656 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 16.9 t -71.75 -36.42 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.615 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 45.8 p -61.45 -34.7 75.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.363 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -76.12 -40.79 51.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.572 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -69.92 -46.74 64.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.575 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 tp -52.78 -33.8 50.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.558 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 54.6 mttm -69.24 -36.33 77.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.28 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.469 ' O ' HD23 ' B' ' 62' ' ' LEU . 1.8 tt -60.04 -55.26 36.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 1.0 109.916 179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.3 mt -51.43 -22.32 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.998 -0.546 . . . . 1.0 111.065 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.423 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 16.7 tptm -71.41 -28.48 64.03 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.754 -0.379 . . . . 1.0 110.408 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.8 m -48.21 -58.72 4.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.344 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -72.59 -5.63 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.16 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.423 ' ND1' ' O ' ' B' ' 64' ' ' LYS . 28.5 m-70 60.54 21.76 11.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.368 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tp -54.38 -13.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.548 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 m -143.82 169.42 10.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.074 0.464 . . . . 1.0 110.669 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -127.93 175.25 8.51 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.747 -0.66 . . . . 1.0 109.802 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -143.02 134.32 26.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.536 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -128.32 143.5 51.02 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.163 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 55.6 ttp85 -93.02 146.21 23.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.751 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -151.66 93.11 1.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.266 179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.3 -113.66 3.68 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.573 -1.011 . . . . 1.0 110.573 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -113.88 -27.31 7.8 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.845 0.355 . . . . 1.0 110.251 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 11.4 t -84.87 143.14 29.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.661 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.51 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -94.26 120.73 34.93 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.367 179.12 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.6 mm -100.11 149.51 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.408 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -137.57 154.02 49.86 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.401 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.7 t -159.56 -172.69 3.8 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.807 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 21.5 mt -68.09 -160.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.006 -178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -171.68 122.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.666 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 t0 75.96 133.31 0.05 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.459 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 11.5 pt -85.02 66.43 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.385 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' B' ' 85' ' ' ILE . 34.2 m80 -151.63 -33.54 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.236 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.546 HG23 ' N ' ' B' ' 88' ' ' ALA . 10.1 m -67.5 -45.17 85.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.664 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.546 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -57.11 -39.54 75.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.962 -178.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 73.9 p -66.46 -46.99 74.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.932 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 40.4 ttm -44.58 -47.41 10.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.949 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 12.3 tp -60.06 -47.53 85.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.682 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -68.93 -65.03 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.798 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.623 ' NE2' HE22 ' A' ' 93' ' ' GLN . 24.8 mt-30 -41.59 -30.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.297 -178.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.67 -67.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.72 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 20.0 pt -65.69 -9.35 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.43 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -71.15 -31.83 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.016 0.436 . . . . 1.0 109.917 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.506 ' C ' ' H ' ' B' ' 99' ' ' ASN . 24.3 t60 -67.89 -53.59 25.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.908 -0.587 . . . . 1.0 109.944 177.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.04 23.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.095 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.506 ' H ' ' C ' ' B' ' 97' ' ' HIS . 10.3 t-20 -143.23 79.0 1.62 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.87 0.367 . . . . 1.0 110.485 -179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.426 ' O ' ' O ' ' B' ' 101' ' ' PRO . 7.9 m-70 -121.44 83.82 41.04 Favored Pre-proline 0 N--CA 1.466 0.328 0 N-CA-C 109.586 -0.524 . . . . 1.0 109.586 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' B' ' 100' ' ' HIS . 50.8 Cg_exo -55.64 -139.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.509 2.139 . . . . 1.0 112.729 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -44.24 143.44 1.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.953 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 64.4 tt0 . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.053 -0.975 . . . . 1.0 110.651 179.759 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.612 HD22 ' N ' ' A' ' 9' ' ' ASN . 1.5 m120 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -45.95 -18.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.719 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.436 ' N ' ' C ' ' A' ' 9' ' ' ASN . 21.7 t0 -64.03 -43.98 93.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.502 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 14' ' ' GLU . 61.5 p -66.67 -61.21 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.587 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.7 tp -40.56 -21.37 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.004 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.524 ' N ' ' O ' ' A' ' 12' ' ' THR . 31.5 tt0 -76.12 -54.91 6.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.73 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -64.12 -9.9 19.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.846 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.76 -28.69 44.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.741 -0.384 . . . . 1.0 111.086 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.0 t -86.86 -29.13 22.43 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.727 0.299 . . . . 1.0 110.736 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -71.22 -32.63 69.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.38 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.8 pt -64.03 -32.44 57.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.842 -0.343 . . . . 1.0 110.875 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' LEU . 60.8 m-85 -77.21 -53.68 7.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.79 0.328 . . . . 1.0 110.528 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -47.94 -25.13 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.382 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.05 -34.34 29.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.432 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 24' ' ' GLY . 38.8 tp -65.77 -26.49 67.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.187 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -55.35 -122.65 0.01 OUTLIER Glycine 0 CA--C 1.526 0.777 0 CA-C-N 115.854 -0.612 . . . . 1.0 111.603 -177.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' GLY . 3.3 m-20 46.94 93.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.855 0.36 . . . . 1.0 110.292 -178.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.5 OUTLIER -50.33 -20.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.8 -178.083 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.409 HD22 ' N ' ' A' ' 27' ' ' ASN . 1.7 m-80 -78.38 -39.49 39.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.417 . . . . 1.0 110.835 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.4 ttt85 -77.29 -44.53 29.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.336 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.535 HG23 ' N ' ' A' ' 30' ' ' ARG . 20.4 tt -52.89 -44.87 50.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.812 -0.355 . . . . 1.0 111.251 -176.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.535 ' N ' HG23 ' A' ' 29' ' ' ILE . 1.7 tmm_? -72.1 -32.64 67.19 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.513 -0.475 . . . . 1.0 110.749 -178.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.5 mt -69.09 -28.79 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 109.569 -0.53 . . . . 1.0 109.569 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.9 tpt -62.14 -31.71 72.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.301 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.34 -36.65 84.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.41 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 15.4 tp -64.81 -60.91 2.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.366 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.3 mt -43.09 -39.25 2.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.94 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -54.16 -53.2 56.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.888 0.375 . . . . 1.0 110.5 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.0 t -54.6 -45.93 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.384 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.6 p -173.97 137.42 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.475 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -44.69 161.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.847 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.89 136.41 12.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.432 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.1 m -75.68 173.23 11.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.544 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.4 t -52.96 -53.34 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.944 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.07 -36.92 93.07 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.349 -0.701 . . . . 1.0 111.349 -178.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -64.44 -25.65 68.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 1.0 110.849 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 91.0 mt -81.3 -26.85 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.948 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 50' ' ' ASN . 37.9 t -56.91 -11.08 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.885 -0.326 . . . . 1.0 111.217 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -89.57 -11.47 42.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 1.0 110.333 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.526 ' O ' ' NH2' ' A' ' 30' ' ' ARG . 32.3 mm-40 -74.68 -55.55 5.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.705 -0.68 . . . . 1.0 110.973 -179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 49' ' ' LEU . 1.2 tt -161.17 -34.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 1.0 110.574 -176.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 46' ' ' SER . 6.1 m120 -81.13 141.18 34.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.982 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 51' ' ' LEU . 2.9 mm? -94.13 -60.48 1.73 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 1.0 109.961 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 t -74.09 139.89 44.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.871 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -82.23 -36.95 26.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.468 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.3 t -56.41 -30.98 63.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.479 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -66.96 -42.76 84.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.383 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 t -71.67 -38.65 67.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.577 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.2 m -63.64 -37.18 86.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.671 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -76.03 -46.4 29.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.651 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -67.93 -46.85 70.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.832 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 tp -55.67 -32.97 63.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.481 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -69.28 -30.93 69.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.819 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.2 tp -68.79 -33.89 74.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.246 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 31.1 mt -76.04 -25.46 55.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.34 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -52.72 -37.09 58.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.28 -0.418 . . . . 1.0 109.959 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 67' ' ' HIS . 69.5 m -54.22 -52.62 60.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.142 178.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.526 ' O ' ' CG ' ' A' ' 67' ' ' HIS . 2.8 t -68.13 4.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.225 0.536 . . . . 1.0 109.698 177.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 66' ' ' VAL . 20.0 p80 41.89 27.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.515 -0.766 . . . . 1.0 111.513 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -57.12 -16.97 8.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.086 0.47 . . . . 1.0 109.859 179.566 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -147.99 178.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.345 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -151.03 129.27 11.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.452 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.54 158.89 15.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.222 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -143.11 156.85 44.89 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.358 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -89.42 141.17 28.8 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.177 178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -152.96 122.88 6.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.898 0.38 . . . . 1.0 110.314 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.77 -136.65 44.1 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.757 -0.937 . . . . 1.0 110.757 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.447 ' N ' ' CD ' ' A' ' 76' ' ' GLN . 3.4 mp0 -99.88 19.71 15.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.729 0.3 . . . . 1.0 110.737 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.7 p -147.6 170.64 17.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.045 0.45 . . . . 1.0 110.901 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.6 mtt -118.83 149.68 41.12 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.76 -0.654 . . . . 1.0 110.102 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.7 pt -137.73 161.56 33.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.875 0.369 . . . . 1.0 110.372 179.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.474 ' CD1' ' N ' ' A' ' 80' ' ' TYR . 21.2 m-85 -125.59 158.09 35.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.488 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.0 m -158.31 -174.56 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.27 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 84' ' ' ASP . 3.2 pp -95.7 161.31 14.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.141 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.431 ' CG ' ' H ' ' A' ' 84' ' ' ASP . 33.6 t70 -58.65 -120.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.428 -179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.449 ' O ' ' CD1' ' A' ' 82' ' ' LEU . 12.0 m-20 -85.22 -139.91 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.327 . . . . 1.0 110.347 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 74.0 mt -108.21 -21.32 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.046 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -49.53 -35.45 20.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.736 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 88' ' ' ALA . 30.7 m -65.73 -47.23 86.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.401 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.524 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -55.57 -23.19 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.383 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.3 m -78.49 -33.84 47.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.552 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 13.2 mmt -59.92 -31.23 69.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.477 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.1 mt -72.76 -52.27 15.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.462 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -63.87 -62.8 1.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.596 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -41.9 -34.22 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.391 -178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.95 -64.44 0.89 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.763 0.316 . . . . 1.0 110.884 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.5 pt -65.66 -7.27 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.581 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -77.39 -45.46 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.44 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 97' ' ' HIS . 23.0 t60 -78.52 -14.7 59.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.343 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.25 -5.16 53.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.645 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.516 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 58.4 t30 -163.72 177.2 8.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.978 0.418 . . . . 1.0 110.922 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.516 ' CG ' ' O ' ' A' ' 99' ' ' ASN . 29.7 m80 -162.85 69.12 1.95 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.269 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.52 -174.62 2.25 Favored 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.582 2.188 . . . . 1.0 112.238 -178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.436 ' NZ ' ' CB ' ' A' ' 102' ' ' LYS . 2.9 ttmp? -157.77 138.13 12.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.52 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--O 1.22 -0.447 0 CA-C-O 117.948 -1.025 . . . . 1.0 110.658 -179.453 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.473 HD22 ' N ' ' B' ' 9' ' ' ASN . 2.3 m120 . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 2.7 t -56.26 -14.94 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.671 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -64.73 -64.91 0.75 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.819 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.508 HG23 ' N ' ' B' ' 13' ' ' LEU . 11.1 t -72.53 -44.64 61.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.87 -178.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.508 ' N ' HG23 ' B' ' 12' ' ' THR . 3.7 mm? -45.47 -25.14 0.39 Allowed 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.993 -0.373 . . . . 1.0 109.993 178.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.432 ' OE2' ' NH1' ' B' ' 15' ' ' ARG . 31.2 tt0 -75.24 -55.25 5.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.667 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.442 ' CD ' ' N ' ' B' ' 15' ' ' ARG . 10.3 mpt_? -60.61 -40.03 90.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.816 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -51.78 -17.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 121.027 -0.269 . . . . 1.0 111.194 -177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 52.4 p -91.29 -34.63 14.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.695 0.283 . . . . 1.0 110.881 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -74.61 -19.25 60.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.654 -176.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 pt -75.7 -30.16 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.632 -0.427 . . . . 1.0 110.948 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -77.93 -55.35 5.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 1.0 110.465 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -47.74 -32.15 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.951 -178.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.48 -25.06 68.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 1.0 110.649 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.0 mt -93.35 9.44 36.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.126 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.02 -79.79 0.07 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.345 -0.702 . . . . 1.0 111.345 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.69 132.92 1.59 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 1.0 111.275 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -74.01 -29.38 61.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.808 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.96 -42.72 76.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.551 179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.539 HH12 ' CG ' ' B' ' 59' ' ' GLN . 92.8 mtt-85 -65.55 -35.89 82.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.006 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 56.1 mt -67.95 -27.03 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.08 -177.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -73.13 -35.66 66.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.903 0.382 . . . . 1.0 110.253 179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 75.5 mt -66.22 -49.88 72.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.593 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 11.4 mmt -54.04 -29.58 44.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.593 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -65.3 -47.59 76.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.355 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 32.0 tp -50.49 -36.5 34.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.052 179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 22.4 mt -63.39 -37.85 88.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.822 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.6 t -56.84 -32.13 65.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.713 0.292 . . . . 1.0 110.892 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 20.2 t -76.2 -48.31 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.818 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -179.91 146.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.574 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.605 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 5.0 mp0 -49.63 159.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.529 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.73 146.15 24.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.429 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 33.8 t -79.53 162.88 25.1 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.548 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 44.1 t -52.03 -53.05 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.51 -28.35 73.51 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.405 -0.678 . . . . 1.0 111.405 -178.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -71.55 -37.69 71.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 1.0 110.945 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.41 HG22 ' O ' ' B' ' 45' ' ' ILE . 95.7 mt -68.28 -15.42 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.502 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -61.48 -33.54 73.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.788 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -60.13 -11.62 6.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.546 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -89.06 -57.52 2.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.887 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt -82.89 -29.48 29.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.842 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 11.3 m120 59.52 87.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.387 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 tp -174.11 -146.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 67.6 m -80.85 136.56 36.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.772 0.32 . . . . 1.0 110.336 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -61.53 -37.82 85.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.716 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 62.8 m -62.6 -16.63 57.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.721 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -64.57 -44.29 91.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.757 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 95.9 t -77.13 -34.65 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.816 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 77.3 p -60.21 -42.69 95.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.46 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -71.97 -39.65 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.728 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.539 ' CG ' HH12 ' B' ' 28' ' ' ARG . 12.4 tt0 -75.1 -27.46 59.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 1.0 111.051 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 51.6 tp -66.39 -36.44 82.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.056 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -77.17 -34.24 56.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.547 -0.297 . . . . 1.0 111.637 -177.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.33 -33.46 71.15 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.409 -0.517 . . . . 1.0 110.37 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 36.0 mt -75.59 -19.88 58.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 1.0 110.114 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -69.06 -12.29 61.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.402 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.454 ' C ' ' H ' ' B' ' 67' ' ' HIS . 75.0 m -77.14 -46.74 22.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.118 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.431 ' H ' HG22 ' B' ' 66' ' ' VAL . 5.3 m -72.38 15.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.85 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.454 ' H ' ' C ' ' B' ' 65' ' ' SER . 4.4 m-70 72.19 9.79 5.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 1.0 112.114 176.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.579 ' O ' HG22 ' B' ' 69' ' ' VAL . 9.7 mp -100.95 160.16 14.6 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 108.747 -0.834 . . . . 1.0 108.747 174.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.579 HG22 ' O ' ' B' ' 68' ' ' LEU . 15.3 m 55.89 140.78 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 O-C-N 123.82 0.7 . . . . 1.0 111.802 -175.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -156.83 139.47 15.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.549 -0.75 . . . . 1.0 109.481 -178.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.91 158.37 16.33 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.152 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -136.79 155.61 49.59 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.445 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -91.3 117.47 29.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.492 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -140.18 100.55 3.93 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.221 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 54.48 58.55 12.69 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.149 -0.781 . . . . 1.0 111.149 179.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 52.79 9.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.689 0.281 . . . . 1.0 110.941 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.462 ' H ' ' C ' ' B' ' 75' ' ' GLY . 4.9 m -118.47 120.0 36.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.275 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.577 ' N ' ' SD ' ' B' ' 78' ' ' MET . 2.0 mpt? -83.4 120.01 25.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.024 -179.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 21.5 mm -103.99 127.86 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.111 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.544 ' CD1' ' N ' ' B' ' 81' ' ' SER . 2.5 t80 -105.64 141.1 37.68 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.999 0.428 . . . . 1.0 110.031 -179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.544 ' N ' ' CD1' ' B' ' 80' ' ' TYR . 16.3 p -159.8 -172.06 3.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.216 179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 16.0 mt -57.71 -161.22 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.579 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -122.98 -31.38 3.64 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.249 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.418 ' CG ' ' H ' ' B' ' 85' ' ' ILE . 33.2 t0 -172.81 178.79 2.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.407 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.418 ' H ' ' CG ' ' B' ' 84' ' ' ASP . 15.5 tt -67.99 -16.07 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.677 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -67.93 -30.29 69.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.844 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 63.3 t -80.79 -37.75 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.036 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.6 -43.07 94.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.97 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.419 ' O ' ' N ' ' B' ' 93' ' ' GLN . 72.5 p -73.62 -46.84 44.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.941 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 23.6 ttt -45.15 -43.15 9.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.963 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 28.4 tp -67.21 -41.62 85.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.998 0.428 . . . . 1.0 110.371 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -79.26 -15.39 58.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.061 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' B' ' 89' ' ' THR . 7.6 tt0 -84.25 -31.59 24.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.802 0.334 . . . . 1.0 110.382 179.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.75 -49.78 49.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.452 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 6.9 mm -61.9 -19.33 21.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.078 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -68.97 -51.89 34.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 1.0 111.264 -178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -72.2 -13.88 61.65 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.824 -0.35 . . . . 1.0 110.908 -178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.36 -40.81 1.8 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.263 -178.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.484 ' CG ' ' H ' ' B' ' 100' ' ' HIS . 64.9 t30 -172.03 179.1 2.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.766 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.484 ' H ' ' CG ' ' B' ' 99' ' ' ASN . 49.9 m-70 -153.64 67.9 6.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 115.799 -0.637 . . . . 1.0 109.996 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -43.25 111.17 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.827 2.352 . . . . 1.0 112.652 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -78.38 112.33 15.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.212 178.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.63 -179.105 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 18.1 m120 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.271 -0.641 . . . . 1.0 109.271 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.8 p -82.45 -31.65 29.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.559 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.67 -46.22 59.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.736 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.2 m -62.81 -60.76 3.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.378 . . . . 1.0 110.475 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.8 tp -47.36 -23.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.48 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -84.01 -50.97 7.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.619 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.489 HH21 ' CE1' ' A' ' 67' ' ' HIS . 64.6 ttt180 -49.79 -55.93 12.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.924 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 17' ' ' THR . 31.1 m -44.0 -40.53 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.194 -178.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.422 ' N ' HG23 ' A' ' 16' ' ' VAL . 28.5 m -55.95 -42.54 76.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.322 . . . . 1.0 110.746 -179.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -65.21 -18.9 65.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.878 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.4 mt -85.14 -32.18 7.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.987 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -79.05 -13.05 60.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.125 -178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -92.62 -30.52 15.57 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.718 0.294 . . . . 1.0 110.662 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.11 -8.98 13.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.909 -179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 24' ' ' GLY . 15.7 mt -80.42 -11.92 59.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.838 -179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -55.72 -162.78 0.02 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 57.68 92.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.907 0.384 . . . . 1.0 110.922 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.431 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 45.3 p90 -52.68 -39.71 62.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.83 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' N ' ' CD2' ' A' ' 26' ' ' TYR . 8.4 p30 -58.86 -36.7 75.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.018 -178.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -65.66 -30.92 71.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.6 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.4 mm -63.19 -31.78 53.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.789 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.409 ' NH2' ' CD2' ' A' ' 49' ' ' LEU . 56.1 mtm180 -64.53 -33.21 75.38 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.883 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.694 HD12 ' N ' ' A' ' 31' ' ' ILE . 1.6 mp -79.53 -20.7 12.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.825 -0.435 . . . . 1.0 109.825 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.3 ttt -71.08 -39.9 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.641 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -74.99 -24.93 58.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.45 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.2 tp -71.96 -60.22 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.438 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.1 mt -54.46 -19.77 6.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.754 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.7 m -68.15 -50.48 54.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.943 0.401 . . . . 1.0 110.55 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.35 -40.62 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.748 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.5 m -172.79 148.95 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.793 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -56.48 165.66 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.174 178.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.41 150.4 23.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 1.0 110.962 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.514 ' H ' ' CD2' ' A' ' 44' ' ' HIS . 61.7 m -93.07 156.78 16.66 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.868 177.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.7 t -45.92 -50.38 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.864 0.364 . . . . 1.0 111.199 -179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.95 -27.01 59.04 Favored Glycine 0 CA--C 1.527 0.806 0 CA-C-N 116.183 -0.462 . . . . 1.0 112.059 -176.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.514 ' CD2' ' H ' ' A' ' 41' ' ' SER . 3.7 m-70 -70.28 -29.0 65.66 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.787 -0.365 . . . . 1.0 111.309 -177.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.676 HD12 ' N ' ' A' ' 45' ' ' ILE . 1.9 mp -66.06 -31.53 54.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.641 -0.424 . . . . 1.0 110.319 -178.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 50' ' ' ASN . 91.1 p -47.46 -38.0 12.82 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.863 -0.335 . . . . 1.0 111.073 -178.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -60.06 -21.26 61.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.834 0.349 . . . . 1.0 110.851 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.463 ' N ' ' CD ' ' A' ' 48' ' ' GLN . 2.8 mp0 -95.74 -57.13 2.46 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.359 178.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.409 ' CD2' ' NH2' ' A' ' 30' ' ' ARG . 13.9 mt -88.5 -46.69 8.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.587 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 46' ' ' SER . 17.3 t30 63.86 23.56 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.682 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.2 mt -99.4 -153.74 0.45 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.269 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.0 m -73.89 132.92 42.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.545 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -65.38 -35.98 82.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.627 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -57.81 -22.36 47.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.595 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -68.06 -41.55 81.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.498 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.57 -40.43 84.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.615 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.4 m -60.63 -57.78 11.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.427 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -54.13 -41.4 68.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.536 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.0 tm0? -67.87 -54.58 17.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.481 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 30.7 tp -57.27 -30.4 64.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.335 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -59.87 -34.77 73.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.255 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.458 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.9 tt -64.88 -57.37 9.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.072 179.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.0 mt -53.61 -40.22 65.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.523 179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -53.19 -31.99 45.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.46 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.435 ' C ' ' H ' ' A' ' 67' ' ' HIS . 15.9 t -74.57 -37.06 63.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.427 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.531 ' O ' ' CG ' ' A' ' 67' ' ' HIS . 2.5 t -77.03 15.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.109 0.48 . . . . 1.0 110.128 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 66' ' ' VAL . 14.0 p-80 42.84 15.63 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.68 -0.691 . . . . 1.0 111.65 178.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.527 ' N ' ' O ' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -71.08 -12.71 61.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.087 0.47 . . . . 1.0 109.832 -179.62 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.8 m -140.41 161.52 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.715 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.6 tttp -144.97 156.27 43.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.02 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -147.39 175.36 10.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.832 0.349 . . . . 1.0 110.345 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -142.01 155.36 45.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.319 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -87.79 129.93 35.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.62 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 77' ' ' SER . 63.0 mt-30 -147.09 137.81 23.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.154 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 76' ' ' GLN . . . -48.54 141.2 9.69 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.61 -0.996 . . . . 1.0 110.61 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 8.6 tt0 95.71 -54.83 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.5 0.72 . . . . 1.0 110.713 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 74' ' ' GLN . 53.3 m -162.4 -179.07 6.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.173 0.511 . . . . 1.0 111.476 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.502 ' O ' ' CE1' ' A' ' 80' ' ' TYR . 8.8 ttt -108.54 111.41 23.24 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.159 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.4 mm -81.47 133.7 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.084 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.502 ' CE1' ' O ' ' A' ' 78' ' ' MET . 48.6 m-85 -110.88 143.19 41.88 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.002 -0.545 . . . . 1.0 109.901 178.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.516 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 26.5 t -157.33 -173.83 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.869 0.366 . . . . 1.0 110.81 -179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.516 ' N ' ' OG ' ' A' ' 81' ' ' SER . 34.0 mt -75.18 170.42 16.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.63 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -78.76 -55.36 5.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.347 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.527 ' OD2' ' ND1' ' A' ' 86' ' ' HIS . 6.3 p-10 -158.25 -71.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.544 179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.475 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 19.4 tt -167.81 -27.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.44 -0.345 . . . . 1.0 110.966 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.527 ' ND1' ' OD2' ' A' ' 84' ' ' ASP . 35.4 m170 -49.84 -28.37 6.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.85 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 88' ' ' ALA . 33.0 m -75.17 -39.55 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.74 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -68.86 -14.93 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.772 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.4 m -77.5 -63.3 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.852 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.6 tpp -51.71 -33.46 34.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.941 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.8 tp -59.49 -59.18 5.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.499 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 94' ' ' ALA . 66.5 mttm -61.75 -61.28 2.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.139 -178.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -40.41 -24.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.647 -177.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 92' ' ' LYS . . . -75.37 -64.55 1.04 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.883 0.373 . . . . 1.0 110.912 -178.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.5 mm -55.77 -26.88 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.947 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 100' ' ' HIS . 43.4 m80 -79.39 -35.92 40.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.118 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -52.81 -62.1 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.618 -0.433 . . . . 1.0 110.568 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.88 -37.82 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.158 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -158.82 84.54 0.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.618 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 96' ' ' HIS . 1.6 p-80 -79.44 153.38 76.34 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.51 . . . . 1.0 109.959 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 103' ' ' GLU . 94.7 Cg_endo -75.46 140.29 24.08 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 121.999 1.799 . . . . 1.0 111.841 179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -49.49 92.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.742 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 101' ' ' PRO . 39.8 tt0 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 117.963 -1.018 . . . . 1.0 110.678 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' B' ' 11' ' ' ASP . 40.8 m-20 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 68.8 p -42.87 -18.91 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.024 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.498 ' N ' ' O ' ' B' ' 9' ' ' ASN . 45.8 m-20 -78.65 -63.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.465 179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 71.5 p -57.15 -18.03 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.606 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 16.6 tp -68.83 -58.34 4.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.289 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -52.96 -20.43 3.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.838 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -74.23 -35.81 63.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.991 0.424 . . . . 1.0 109.962 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.437 ' O ' HG22 ' B' ' 19' ' ' ILE . 91.9 t -65.34 -18.94 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.731 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 13.9 m -91.24 -29.78 17.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.691 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -77.74 -13.35 59.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.17 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.437 HG22 ' O ' ' B' ' 16' ' ' VAL . 10.5 tt -70.67 -39.74 76.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 C-N-CA 120.684 -0.407 . . . . 1.0 110.347 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -75.59 -60.75 2.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.664 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -47.52 -37.63 12.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.974 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.99 -22.29 62.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.754 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' B' ' 25' ' ' ASP . 6.6 tp -84.9 -6.97 59.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.261 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.93 82.31 0.01 OUTLIER Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.462 ' N ' ' O ' ' B' ' 23' ' ' LEU . 26.7 t0 -171.87 101.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.734 0.302 . . . . 1.0 110.312 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -46.44 -67.2 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 1.0 111.196 -178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -41.36 -32.36 0.3 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.676 -177.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -72.58 -31.3 65.12 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.893 -0.323 . . . . 1.0 111.255 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 46.4 mt -66.33 -32.24 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.803 -0.359 . . . . 1.0 110.878 -178.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -73.1 -31.59 64.42 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.849 -0.34 . . . . 1.0 110.837 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 72.8 mt -76.33 -40.59 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.735 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 70.6 mmm -67.22 -18.09 65.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.642 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -76.07 -70.26 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.995 -178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 pp -52.31 -25.7 10.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.089 -178.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.502 ' O ' HD13 ' B' ' 35' ' ' LEU . 0.2 OUTLIER -74.98 -43.76 52.13 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.723 -0.473 . . . . 1.0 109.723 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 46.2 p -48.32 -43.07 32.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.337 178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 25.3 t -54.0 -64.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.325 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 23.5 p -148.73 173.4 13.27 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.534 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -76.12 168.04 20.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.375 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.13 154.75 29.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.47 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 28.0 t -89.15 161.88 16.24 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.094 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.518 ' O ' HG22 ' B' ' 45' ' ' ILE . 77.4 t -57.63 -57.32 10.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.87 -0.332 . . . . 1.0 110.393 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.41 -23.64 60.51 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 120.877 -0.677 . . . . 1.0 111.784 -177.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -75.83 -30.99 59.18 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.879 0.326 . . . . 1.0 111.879 -176.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.518 HG22 ' O ' ' B' ' 42' ' ' VAL . 7.9 tt -58.7 -18.65 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 C-N-CA 120.541 -0.464 . . . . 1.0 110.067 -178.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.527 ' O ' ' N ' ' B' ' 50' ' ' ASN . 79.2 p -58.8 -41.55 87.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.693 -0.685 . . . . 1.0 110.537 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -51.71 -27.14 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.187 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -87.32 -51.95 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.524 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' B' ' 51' ' ' LEU . 28.0 mt -133.47 62.69 1.65 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.189 -0.46 . . . . 1.0 109.933 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' B' ' 46' ' ' SER . 46.0 t30 -50.38 84.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.311 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' B' ' 49' ' ' LEU . 32.2 mt -135.86 -155.17 0.61 Allowed 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 109.183 -0.673 . . . . 1.0 109.183 177.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 8.8 p -63.79 127.77 32.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.787 0.327 . . . . 1.0 110.291 178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.536 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 22.6 mp0 -69.51 -55.71 9.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.895 -178.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.0 p -43.49 -24.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.006 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.11 -42.69 98.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.616 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 15.3 t -75.33 -34.74 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.692 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 27.7 t -56.49 -37.97 71.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.878 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -79.61 -63.84 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.552 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -46.77 -39.69 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.874 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 55.2 tp -66.04 -34.9 79.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.451 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 13.8 ttmm -61.74 -28.85 69.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.885 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 24.2 tp -64.78 -47.41 78.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.302 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.58 HD12 ' N ' ' B' ' 63' ' ' LEU . 9.1 mp -60.28 -35.33 75.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.205 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -77.89 -10.23 59.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.537 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.4 t -66.47 -60.94 2.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 1.0 111.595 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 57.4 t -66.45 -72.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.679 -0.409 . . . . 1.0 111.398 -175.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' B' ' 67' ' ' HIS . 5.5 t60 -176.6 8.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.863 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.57 HD12 ' N ' ' B' ' 68' ' ' LEU . 9.5 mp -97.96 141.84 30.43 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.85 -0.426 . . . . 1.0 109.85 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.427 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 7.5 t 65.7 151.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 1.0 110.609 -177.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -149.73 175.33 11.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.767 -0.651 . . . . 1.0 109.941 -178.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -152.07 116.82 5.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.023 0.44 . . . . 1.0 110.704 -179.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -112.51 123.8 51.09 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.943 -0.571 . . . . 1.0 109.821 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -59.6 133.47 56.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.448 0.642 . . . . 1.0 111.416 -173.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -153.81 138.73 17.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.987 -1.006 . . . . 1.0 110.148 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.27 -141.25 41.3 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -100.6 23.23 10.66 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 120.584 0.23 . . . . 1.0 110.925 -179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 50.2 p -152.08 169.68 21.8 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.914 0.388 . . . . 1.0 110.957 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 60.5 mtp -103.64 103.43 13.36 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.34 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.648 HD12 ' N ' ' B' ' 79' ' ' ILE . 1.5 mp -78.4 131.28 34.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.178 -0.465 . . . . 1.0 109.862 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -106.81 140.57 39.43 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.31 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -148.8 174.47 12.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.582 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.87 179.79 2.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.94 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' B' ' 67' ' ' HIS . 1.2 m-20 -81.48 -50.32 9.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.547 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.444 ' O ' HG23 ' B' ' 85' ' ' ILE . 56.9 m-20 -158.08 -76.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.701 -179.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.444 HG23 ' O ' ' B' ' 84' ' ' ASP . 21.2 pt -157.26 -15.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.418 -0.356 . . . . 1.0 110.935 -178.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -57.68 -77.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.429 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.5 m -44.83 -27.97 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.611 -174.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.93 -50.79 63.14 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.753 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 77.6 m -65.54 -45.04 84.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.994 -179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 58.4 mtt -41.35 -55.88 2.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.377 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 34.2 mt -53.2 -57.47 10.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.726 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.404 ' NZ ' ' CB ' ' B' ' 92' ' ' LYS . 7.3 mtmp? -67.91 -14.06 62.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.194 -178.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -83.83 -25.56 30.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.546 -0.297 . . . . 1.0 110.84 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.49 -66.28 0.68 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.12 -178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 12.9 pt -58.58 -19.41 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.795 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -69.93 -41.28 74.81 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.336 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -50.84 -49.7 58.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.44 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -53.72 -63.02 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.53 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.654 ' ND2' ' H ' ' B' ' 100' ' ' HIS . 4.4 t-20 -63.76 177.79 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.569 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.654 ' H ' ' ND2' ' B' ' 99' ' ' ASN . 19.1 m-70 -155.63 151.37 22.06 Favored Pre-proline 0 C--N 1.33 -0.239 0 CA-C-N 116.139 -0.482 . . . . 1.0 109.749 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -76.83 -48.69 0.12 Allowed 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 121.939 1.759 . . . . 1.0 112.224 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -159.61 159.58 33.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.781 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.673 179.79 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.9 p30 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.454 -0.572 . . . . 1.0 109.454 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.5 p -76.81 -18.68 58.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.566 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.6 p30 -67.59 -23.22 65.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.68 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.7 p -58.62 -40.86 84.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.789 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -72.59 -49.54 31.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 1.0 109.978 -179.757 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -64.75 -16.67 63.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.561 179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.4 tpp180 -81.71 -70.17 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.643 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.514 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 27.5 m -40.47 -30.12 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.447 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.5 p -65.63 -50.89 63.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.983 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -59.62 -25.52 64.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.147 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.3 mm -67.94 -63.88 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.982 -0.287 . . . . 1.0 110.971 -179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.514 ' CE2' ' O ' ' A' ' 16' ' ' VAL . 9.1 m-85 -49.74 -58.27 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.741 -0.384 . . . . 1.0 110.672 -179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt -43.13 -41.43 3.66 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.205 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.42 -25.54 65.97 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.623 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 20' ' ' PHE . 6.0 tp -78.9 -4.44 49.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.448 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.65 85.1 0.2 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.339 -0.704 . . . . 1.0 111.339 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 10.5 t70 -173.59 150.78 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.712 0.291 . . . . 1.0 110.315 178.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -88.8 -71.47 0.59 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.064 0.459 . . . . 1.0 111.208 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.609 HD22 ' N ' ' A' ' 27' ' ' ASN . 1.6 m120 -48.66 -18.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.646 -0.707 . . . . 1.0 111.44 -176.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.454 ' N ' ' OD1' ' A' ' 25' ' ' ASP . 11.7 tpp85 -71.77 -34.07 69.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.862 0.363 . . . . 1.0 110.088 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.7 mm -67.72 -34.64 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.742 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 tpp85 -74.01 -34.52 64.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.508 -0.315 . . . . 1.0 110.82 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.6 mt -74.06 -24.53 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.517 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.2 tpt -81.15 -35.75 31.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.521 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -64.33 -32.42 74.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.598 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.3 tp -71.79 -63.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.543 -178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 33.1 mt -45.84 -25.11 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.795 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 t -65.75 -52.05 54.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.824 0.345 . . . . 1.0 110.379 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.2 t -62.58 -59.68 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.528 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.8 m -151.47 136.83 17.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.889 -179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.609 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 10.7 pm0 -75.18 156.52 35.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.859 -0.609 . . . . 1.0 109.997 178.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.31 -177.58 6.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.913 0.387 . . . . 1.0 110.783 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 90.2 p -87.15 150.99 23.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.389 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.538 HG13 ' N ' ' A' ' 43' ' ' GLY . 12.9 p -49.56 -44.65 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.007 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.538 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -60.44 -18.97 52.44 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.289 -0.724 . . . . 1.0 111.289 -178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -77.0 -20.3 56.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.785 0.326 . . . . 1.0 110.755 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.649 HD12 ' N ' ' A' ' 45' ' ' ILE . 1.5 mp -75.23 -29.5 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 1.0 109.938 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.511 ' O ' ' N ' ' A' ' 50' ' ' ASN . 55.1 p -44.32 -47.92 9.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 1.0 111.207 -178.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.409 ' N ' ' ND1' ' A' ' 47' ' ' HIS . 2.5 m80 -51.01 -14.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.13 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -92.89 -57.27 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.565 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.38 -46.51 7.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.741 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 46' ' ' SER . 56.8 t-20 56.88 82.01 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.203 -178.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.47 HD23 ' C ' ' A' ' 51' ' ' LEU . 2.0 tt -151.21 -69.65 0.17 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.399 -178.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 m -157.78 127.59 6.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.055 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -67.35 -26.53 66.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.521 -0.308 . . . . 1.0 111.035 -179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -81.59 -30.41 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.89 -178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -70.35 -44.68 67.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.968 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.1 m -71.88 -33.39 47.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.528 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.9 m -62.99 -54.19 42.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.179 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -43.83 -39.09 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.824 -0.625 . . . . 1.0 111.014 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -59.18 -55.83 29.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.495 -0.32 . . . . 1.0 111.441 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 60' ' ' LEU . 10.1 mp -52.23 -20.06 2.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.88 -0.328 . . . . 1.0 110.89 -177.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -72.46 -39.96 67.37 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.524 -0.47 . . . . 1.0 110.316 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 62' ' ' LEU . 3.2 mm? -67.11 -37.66 84.3 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.057 -0.349 . . . . 1.0 110.057 178.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.436 HD11 ' NH1' ' A' ' 28' ' ' ARG . 13.9 mt -73.7 -30.86 63.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.668 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -75.29 -12.39 60.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.281 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.7 m -85.26 -34.74 21.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.001 -0.545 . . . . 1.0 111.079 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.7 t -72.32 -72.19 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.676 -0.41 . . . . 1.0 110.86 -178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.413 ' H ' ' H ' ' A' ' 68' ' ' LEU . 6.6 t60 -176.5 -4.93 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.242 179.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.415 ' O ' ' O ' ' A' ' 63' ' ' LEU . 21.3 mt -110.11 159.12 17.61 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.74 0.305 . . . . 1.0 110.537 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.4 t 67.49 128.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.679 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -149.36 161.78 41.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.684 -0.689 . . . . 1.0 109.854 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -155.96 160.41 40.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.924 0.392 . . . . 1.0 110.876 -179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -141.56 127.89 19.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.841 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -60.66 152.04 27.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.268 0.556 . . . . 1.0 111.29 -175.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -152.9 108.75 3.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.397 -0.82 . . . . 1.0 110.548 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.468 ' C ' ' NE2' ' A' ' 76' ' ' GLN . . . 71.42 -105.29 1.62 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.084 -0.806 . . . . 1.0 111.084 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.468 ' NE2' ' C ' ' A' ' 75' ' ' GLY . 9.0 mp0 -126.41 18.23 7.57 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.822 0.344 . . . . 1.0 110.408 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.2 m -147.27 162.86 38.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.263 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptt? -114.55 138.01 51.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.468 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 79' ' ' ILE . 19.6 mt -110.52 138.18 39.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.554 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -109.33 140.94 42.37 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.29 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 82' ' ' LEU . 87.1 p -158.25 -172.63 3.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.81 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 81' ' ' SER . 24.7 mt -59.01 -150.25 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.753 -179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -155.17 -26.46 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.837 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 85' ' ' ILE . 9.2 t70 -164.53 158.12 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.482 179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.483 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 29.6 pt -79.02 12.05 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.783 -179.431 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.476 ' C ' ' H ' ' A' ' 88' ' ' ALA . 30.9 m80 -77.3 -75.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.988 0.423 . . . . 1.0 110.647 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.3 m -48.22 -10.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.013 -0.539 . . . . 1.0 111.371 -178.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' A' ' 86' ' ' HIS . . . -61.56 -62.06 2.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 1.0 110.737 -179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.0 t -66.83 -29.21 69.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.587 -179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 15.2 ttt -57.27 -40.79 78.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.461 179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.8 tp -61.16 -47.86 84.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.186 179.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -62.83 -57.35 11.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.535 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -40.67 -34.58 0.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.586 -178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.47 -46.79 75.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.869 0.366 . . . . 1.0 110.445 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.8 mm -70.72 -14.65 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.288 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -75.87 -58.96 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.758 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -62.29 -21.89 65.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 1.0 110.262 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.56 94.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.41 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -69.66 -120.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.199 179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.3 m80 51.66 62.37 11.06 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.674 0.273 . . . . 1.0 110.686 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.415 ' O ' ' O ' ' A' ' 102' ' ' LYS . 87.1 Cg_endo -77.49 -43.92 0.21 Allowed 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.537 2.158 . . . . 1.0 112.055 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.415 ' O ' ' O ' ' A' ' 101' ' ' PRO . 61.8 mmtt 52.38 103.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.542 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.987 -1.006 . . . . 1.0 110.58 179.942 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 32.7 m120 . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.337 -0.616 . . . . 1.0 109.337 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.6 m -86.38 -39.2 16.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.525 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -64.72 -35.79 82.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.495 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.7 m -71.79 -32.44 67.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.438 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.48 -20.66 64.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.103 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -83.25 -49.45 9.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.506 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' B' ' 18' ' ' GLU . 45.8 ttt85 -54.17 -55.4 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.259 -178.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 16.5 m -41.37 -28.55 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.365 -178.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.5 p -76.58 -41.14 47.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.663 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' B' ' 15' ' ' ARG . 29.8 mt-10 -62.18 -22.08 65.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.987 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 16.1 mt -67.72 -69.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.677 -179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -43.73 -60.54 1.75 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.269 -178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -43.54 -36.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.404 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.93 -25.18 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.506 -0.315 . . . . 1.0 111.428 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.584 HD12 ' N ' ' B' ' 23' ' ' LEU . 9.4 mp -78.47 0.75 24.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.086 -0.246 . . . . 1.0 110.668 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' B' ' 25' ' ' ASP . . . -64.71 -162.27 0.64 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' B' ' 24' ' ' GLY . 1.6 m-20 54.23 107.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.877 0.37 . . . . 1.0 110.669 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -57.39 -18.73 19.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.868 -179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -82.13 -42.37 19.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.281 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -72.59 -34.21 67.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.462 -0.336 . . . . 1.0 111.294 -177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 19.5 tt -73.01 -32.36 39.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.287 -177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -67.6 -30.23 69.77 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.647 -179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -70.33 -51.23 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.433 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 31.5 ttm -46.54 -36.56 6.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.661 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -73.15 -30.53 63.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.997 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 25.4 tp -73.09 -44.95 59.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.42 -0.355 . . . . 1.0 110.528 -178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.556 ' N ' HD12 ' B' ' 35' ' ' LEU . 9.9 mp -74.17 -18.53 60.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.128 179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -63.81 -54.96 26.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.638 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.98 -37.3 79.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.736 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 55.5 m -165.53 130.62 2.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.8 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.619 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 1.4 pm0 -66.97 155.0 39.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.705 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.5 168.47 27.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.706 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 28.3 p -85.35 156.51 20.86 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.697 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.483 HG23 ' N ' ' B' ' 43' ' ' GLY . 35.3 m -48.17 -43.12 11.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.348 -178.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.483 ' N ' HG23 ' B' ' 42' ' ' VAL . . . -67.44 -38.37 90.91 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 121.132 -0.556 . . . . 1.0 112.019 -176.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -67.84 -33.85 75.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.796 0.331 . . . . 1.0 111.405 -176.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 32.1 pt -80.79 -13.65 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.695 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.462 ' C ' ' N ' ' B' ' 48' ' ' GLN . 16.2 m -50.23 -28.98 8.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.591 179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.22 -11.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.25 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.462 ' N ' ' C ' ' B' ' 46' ' ' SER . 14.4 mm100 -94.12 -52.45 4.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.027 177.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.569 ' N ' HD12 ' B' ' 49' ' ' LEU . 9.8 mp -86.87 -64.89 1.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.236 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 66.38 25.83 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.991 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -91.31 -70.44 0.68 Allowed 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.6 m -158.87 132.0 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 1.0 109.937 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -54.11 -21.71 9.26 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.679 -0.408 . . . . 1.0 110.646 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 85.9 p -81.43 -24.83 36.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.481 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -77.5 -44.37 29.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.806 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.443 HG13 ' N ' ' B' ' 57' ' ' SER . 11.7 p -67.16 -38.51 81.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.647 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.443 ' N ' HG13 ' B' ' 56' ' ' VAL . 66.6 m -58.62 -66.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.916 0.389 . . . . 1.0 110.495 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -40.59 -30.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 1.0 111.244 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 30.9 tp60 -70.97 -55.39 8.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.744 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 28.3 mt -54.49 -29.55 50.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.478 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -67.41 -35.13 78.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.795 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.524 ' O ' HD23 ' B' ' 62' ' ' LEU . 1.0 OUTLIER -67.04 -32.96 74.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.1 0.476 . . . . 1.0 110.039 -179.359 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.4 mt -69.96 -26.04 63.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.051 -0.522 . . . . 1.0 111.1 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -69.89 -27.89 65.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.493 -0.321 . . . . 1.0 110.964 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.6 m -66.89 -41.18 87.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.179 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.468 ' C ' ' ND1' ' B' ' 67' ' ' HIS . 14.5 m -75.98 15.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.331 -177.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.468 ' ND1' ' C ' ' B' ' 66' ' ' VAL . 8.2 m80 71.09 10.39 6.84 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.504 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 36.1 mt -109.4 153.71 23.6 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 110.035 -0.358 . . . . 1.0 110.035 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.8 t 62.78 141.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.761 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -164.08 135.05 4.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.559 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.94 171.74 7.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.372 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -148.29 162.71 38.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.479 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -89.7 145.17 25.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.681 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -148.43 106.19 3.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.382 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 56.23 -95.91 0.04 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.472 ' CD ' ' N ' ' B' ' 76' ' ' GLN . 2.2 pm0 -133.88 12.69 4.0 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.794 0.331 . . . . 1.0 110.246 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -130.02 135.76 48.64 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.458 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.58 ' N ' ' SD ' ' B' ' 78' ' ' MET . 4.4 mpp? -103.89 145.68 29.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.881 -0.599 . . . . 1.0 110.19 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 pt -138.53 158.24 30.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -110.89 142.95 42.27 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.466 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.436 ' OG ' ' N ' ' B' ' 82' ' ' LEU . 8.7 t -147.95 175.44 10.98 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.01 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.436 ' N ' ' OG ' ' B' ' 81' ' ' SER . 3.4 pp -162.75 -22.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.916 -178.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 20.2 p-10 -58.78 99.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.177 -177.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -110.05 17.65 20.83 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.529 ' O ' ' CG ' ' B' ' 86' ' ' HIS . 10.0 mt 63.88 54.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.134 -177.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.529 ' CG ' ' O ' ' B' ' 85' ' ' ILE . 20.3 m170 -164.95 -27.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.668 -0.696 . . . . 1.0 110.026 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 92.9 t -86.0 -37.14 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.827 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.68 -42.05 87.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.857 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.452 ' O ' ' N ' ' B' ' 93' ' ' GLN . 42.2 p -69.0 -47.81 64.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.458 -0.337 . . . . 1.0 110.758 -179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 4.3 tpt -45.04 -51.94 9.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.873 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 tp -68.03 -42.29 80.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.62 -179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -72.66 -14.22 61.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.957 -178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' B' ' 89' ' ' THR . 59.8 tp60 -81.5 -29.8 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.354 . . . . 1.0 110.491 179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.36 -44.65 71.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.452 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 14.8 mm -65.5 -21.4 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.394 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.73 -46.0 63.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.756 -179.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -78.63 -15.27 58.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.753 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.6 -52.06 14.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.747 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -75.54 -45.84 35.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.936 -179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' B' ' 101' ' ' PRO . 60.6 t60 47.42 66.79 5.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.348 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' B' ' 100' ' ' HIS . 88.0 Cg_exo -45.67 179.84 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.616 0 C-N-CA 122.845 2.364 . . . . 1.0 112.484 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -74.88 -49.97 18.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.551 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 118.016 -0.992 . . . . 1.0 110.456 179.554 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.369 -0.604 . . . . 1.0 109.369 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.2 p -80.56 -23.56 39.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.76 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -80.81 -20.12 43.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 1.0 110.529 179.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.403 ' C ' ' N ' ' A' ' 14' ' ' GLU . 53.1 p -74.55 -70.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.651 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.567 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.0 mp -47.2 -20.59 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.381 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 12' ' ' THR . 41.8 mm-40 -79.28 -45.65 19.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.732 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -83.38 -26.99 29.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.214 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.9 t -76.14 -40.5 36.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.624 -179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 79.6 m -68.06 -19.32 64.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.977 0.418 . . . . 1.0 110.427 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.532 ' O ' ' N ' ' A' ' 20' ' ' PHE . 30.6 tt0 -74.49 -69.51 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.339 179.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.4 pt -35.81 -25.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.987 -0.551 . . . . 1.0 112.248 -174.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' GLU . 51.9 m-85 -76.11 -70.48 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.515 -0.474 . . . . 1.0 109.885 177.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -51.35 -23.58 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.833 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.58 -19.03 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 1.0 111.026 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.567 HD22 ' N ' ' A' ' 23' ' ' LEU . 3.1 mm? -89.43 12.17 17.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.494 -0.321 . . . . 1.0 110.347 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.81 -79.76 0.07 OUTLIER Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.008 -0.837 . . . . 1.0 111.008 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.03 135.42 7.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 1.0 110.807 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -72.94 -30.35 63.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.764 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.427 ' ND2' HD21 ' A' ' 49' ' ' LEU . 15.0 t-20 -49.62 -44.83 47.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.693 -179.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -66.09 -38.54 88.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 1.0 111.142 -178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mt -59.51 -28.81 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.951 -178.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -69.17 -35.11 75.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.743 -0.208 . . . . 1.0 111.274 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.592 HD12 ' N ' ' A' ' 31' ' ' ILE . 1.4 mp -81.15 -16.35 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 -179.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.0 tpt -81.82 -39.86 23.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 1.0 110.62 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' O ' ' OG ' ' A' ' 36' ' ' SER . 14.3 pt-20 -80.68 -41.88 22.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.014 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.465 HD13 ' C ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -67.86 -67.01 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.447 -178.596 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 38' ' ' SER . 8.2 tp -46.84 -48.9 20.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.861 -177.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 33' ' ' GLU . 30.3 p -43.06 -40.18 3.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.032 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.19 -34.87 73.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.564 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 35' ' ' LEU . 40.0 m -167.23 137.58 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.533 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.93 158.42 19.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.143 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.33 164.92 37.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.985 0.421 . . . . 1.0 111.412 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.8 p -108.52 163.52 13.16 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.768 -0.651 . . . . 1.0 109.814 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.4 t -46.53 -46.3 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.69 0.281 . . . . 1.0 111.226 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.02 -53.46 40.04 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 121.385 -0.436 . . . . 1.0 112.042 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -60.8 -31.59 70.97 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.978 0.362 . . . . 1.0 111.978 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 48' ' ' GLN . 54.6 mt -71.93 -31.09 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.319 -0.552 . . . . 1.0 110.481 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -43.8 -19.58 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.84 0.353 . . . . 1.0 110.856 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 45' ' ' ILE . 11.9 m-70 -91.21 -30.2 16.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.734 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.506 ' N ' ' O ' ' A' ' 45' ' ' ILE . 20.1 mt-30 -92.33 -58.36 2.4 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.022 -178.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.427 HD21 ' ND2' ' A' ' 27' ' ' ASN . 16.1 tp -173.83 75.11 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.546 -0.297 . . . . 1.0 110.906 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.543 ' O ' ' N ' ' A' ' 52' ' ' SER . 7.8 t30 -151.77 -15.9 0.19 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.792 -0.447 . . . . 1.0 109.792 177.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.499 ' O ' ' NE2' ' A' ' 53' ' ' GLN . 3.1 pp -32.04 -28.62 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.822 -0.626 . . . . 1.0 111.924 -177.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.543 ' N ' ' O ' ' A' ' 50' ' ' ASN . 31.1 t -95.44 72.38 3.21 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 108.991 -0.744 . . . . 1.0 108.991 173.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.602 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 18.3 mp0 -36.81 -63.5 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.869 -0.605 . . . . 1.0 112.01 -175.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.3 t -42.18 -18.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.423 -177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 53' ' ' GLN . 8.8 t-20 -76.54 -43.51 38.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.097 -179.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG21 ' OD1' ' A' ' 50' ' ' ASN . 83.9 t -82.05 -41.81 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.783 0.325 . . . . 1.0 110.952 -178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.8 t -48.89 -48.53 42.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.013 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -74.48 -25.93 59.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.619 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -68.93 -60.94 2.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 1.0 111.191 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 42.0 mt -56.57 -23.49 40.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.475 -0.33 . . . . 1.0 111.503 -177.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -66.11 -42.38 89.29 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.553 -0.459 . . . . 1.0 110.169 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.37 -58.3 6.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.553 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 42.9 mt -45.69 -39.4 7.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.747 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -57.33 -42.23 81.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.826 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.485 ' C ' ' H ' ' A' ' 67' ' ' HIS . 41.0 t -64.91 -39.07 92.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.786 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -72.59 12.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.294 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.485 ' H ' ' C ' ' A' ' 65' ' ' SER . 2.2 t60 65.52 15.19 9.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.965 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' A' ' 69' ' ' VAL . 43.1 mt -96.64 139.54 32.57 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.687 -0.486 . . . . 1.0 109.687 176.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.445 ' O ' ' O ' ' A' ' 68' ' ' LEU . 20.7 m 46.49 177.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.392 -177.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -165.25 154.93 12.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.687 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.4 153.17 20.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.079 178.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -140.26 153.83 46.64 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.881 0.372 . . . . 1.0 110.595 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 71.7 ttt-85 -85.27 119.87 26.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.172 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -152.8 115.85 4.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.92 0.39 . . . . 1.0 110.76 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 49.63 56.97 10.11 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.169 -0.772 . . . . 1.0 111.169 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 50.6 8.65 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.598 0.237 . . . . 1.0 111.23 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.49 ' H ' ' C ' ' A' ' 75' ' ' GLY . 14.3 m -123.47 144.17 49.69 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.983 -0.377 . . . . 1.0 109.983 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.4 ptt? -109.57 128.35 55.14 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.953 0.406 . . . . 1.0 110.739 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.406 HD13 HG21 ' A' ' 79' ' ' ILE . 14.6 pt -133.31 161.88 40.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.446 -0.575 . . . . 1.0 109.446 178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -136.28 172.75 12.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.418 0.627 . . . . 1.0 111.168 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 44.7 t -170.01 -154.09 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.065 -0.971 . . . . 1.0 109.378 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.468 ' N ' ' OG ' ' A' ' 81' ' ' SER . 12.0 mt -86.89 -179.05 6.45 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.086 -0.339 . . . . 1.0 110.086 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -170.21 -8.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.731 -0.388 . . . . 1.0 111.238 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -116.3 -20.01 9.94 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.822 0.344 . . . . 1.0 110.414 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.524 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 27.4 mt 47.27 73.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.755 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 29.0 m80 -161.05 -54.45 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.318 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.5 m -46.19 -12.83 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.31 -178.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 86' ' ' HIS . . . -62.85 -60.05 4.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.838 0.351 . . . . 1.0 110.657 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 36.7 p -62.32 -30.05 70.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.729 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 32.8 ttm -49.57 -47.36 49.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.676 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 26.4 mt -64.01 -41.68 97.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.717 -179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.79 -70.69 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 1.0 111.025 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -42.5 -26.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.315 -178.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -63.03 -53.19 57.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 1.0 110.71 -179.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.0 mm -68.8 -17.44 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.713 -179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.564 ' ND1' ' NE2' ' B' ' 86' ' ' HIS . 66.6 t-80 -63.47 -40.56 97.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.592 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -70.65 -63.15 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.309 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.3 -28.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.95 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -167.96 130.82 1.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.688 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -80.49 149.83 69.17 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 1.0 109.989 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.46 -45.97 0.23 Allowed 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 121.889 1.726 . . . . 1.0 112.0 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.7 mttp -58.86 -90.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.621 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.951 -1.024 . . . . 1.0 110.659 179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.406 ' H ' HG22 ' B' ' 10' ' ' THR . 2.2 t -86.12 -28.13 24.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.534 179.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 34.1 p-10 -73.52 -14.68 61.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.351 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.6 p -76.14 -59.34 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.482 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.527 ' N ' HD12 ' B' ' 13' ' ' LEU . 9.3 mp -47.0 -32.9 4.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.096 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -64.39 -56.19 15.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -68.08 -40.97 82.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.801 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 99.6 t -58.8 -17.11 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.619 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 96.1 m -85.96 -31.97 21.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 1.0 110.147 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -70.9 -20.79 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.65 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.556 HD13 ' O ' ' B' ' 19' ' ' ILE . 0.2 OUTLIER -56.32 -45.29 81.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 109.695 -0.483 . . . . 1.0 109.695 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.433 ' N ' ' CG2' ' B' ' 19' ' ' ILE . 29.0 m-85 -67.94 -55.86 11.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.693 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -51.2 -21.78 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.531 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -58.27 -36.59 73.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.921 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.582 HD12 ' N ' ' B' ' 23' ' ' LEU . 9.0 mp -63.97 -7.92 9.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.883 0.373 . . . . 1.0 110.129 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 38.46 -127.03 1.75 Allowed Glycine 0 CA--C 1.527 0.788 0 CA-C-N 115.86 -0.609 . . . . 1.0 111.864 178.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -75.82 173.97 10.47 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.852 0.358 . . . . 1.0 110.84 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.598 ' CE2' ' ND2' ' B' ' 27' ' ' ASN . 19.4 p90 -68.99 -45.9 69.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.083 -178.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.598 ' ND2' ' CE2' ' B' ' 26' ' ' TYR . 67.7 m-80 -45.27 -33.84 2.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.909 0.385 . . . . 1.0 110.522 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.58 HH12 ' NE2' ' B' ' 59' ' ' GLN . 15.5 tpp180 -64.34 -34.16 77.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.251 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' B' ' 26' ' ' TYR . 43.9 mt -70.24 -28.81 36.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.779 -0.646 . . . . 1.0 111.095 -177.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 tpt85 -66.2 -32.11 73.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.398 . . . . 1.0 110.119 179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 37.2 mt -63.14 -42.38 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.176 178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 42.3 mtt -64.65 -44.97 88.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.687 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -54.7 -30.69 56.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.395 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.405 HD13 ' C ' ' B' ' 34' ' ' LEU . 0.3 OUTLIER -76.18 -62.03 1.74 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.178 -179.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 34.2 mt -60.75 -6.65 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.604 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 5.8 t -81.63 -43.49 18.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.392 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 88.1 t -69.13 -24.39 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.638 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 2.4 t 174.89 133.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.712 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.589 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 1.3 pm0 -51.79 164.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.746 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.425 ' CB ' HE22 ' B' ' 48' ' ' GLN . . . -157.61 154.92 29.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.619 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.408 ' OG ' ' N ' ' B' ' 42' ' ' VAL . 33.4 t -85.35 -163.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.195 179.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.567 ' O ' HG22 ' B' ' 45' ' ' ILE . 70.7 t -79.62 -66.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.378 179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.11 -32.67 63.26 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.541 -0.624 . . . . 1.0 111.541 -178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -58.47 -11.13 2.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.757 0.313 . . . . 1.0 110.712 -178.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.567 HG22 ' O ' ' B' ' 42' ' ' VAL . 11.2 tt -78.05 -34.71 19.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.659 -179.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.6 t -46.54 -32.71 3.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.71 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 44.5 t-80 -84.56 -18.34 35.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.847 -178.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.425 HE22 ' CB ' ' B' ' 40' ' ' ALA . 83.2 mt-30 -84.17 -57.42 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.1 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 21.8 mt -112.85 -27.89 7.95 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.518 -0.31 . . . . 1.0 110.93 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 23.3 t30 58.4 79.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 1.0 110.458 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 77.3 mt -140.54 -178.6 5.58 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.086 -0.507 . . . . 1.0 109.714 179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 41.2 m -66.83 132.69 48.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.463 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -62.85 -40.18 96.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.075 -178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' B' ' 58' ' ' HIS . 36.8 m -52.29 -29.92 25.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.945 0.402 . . . . 1.0 110.408 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -73.56 -32.17 64.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.64 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.1 t -81.64 -49.4 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.282 -178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 23.7 p -57.89 -42.19 84.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.878 0.371 . . . . 1.0 110.633 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . 0.413 ' CG ' ' O ' ' B' ' 54' ' ' SER . 2.1 m-70 -67.7 -42.47 81.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.51 . . . . 1.0 111.104 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.58 ' NE2' HH12 ' B' ' 28' ' ' ARG . 38.7 mm-40 -64.63 -57.67 8.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.379 -0.373 . . . . 1.0 111.103 -178.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 38.4 mt -46.38 -24.52 0.51 Allowed 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.76 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -72.93 -43.23 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 1.0 110.621 179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 22.7 mt -59.5 -35.89 75.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.699 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.0 mt -71.17 -23.84 62.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.77 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -65.3 -21.48 66.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.439 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.44 ' C ' ' H ' ' B' ' 67' ' ' HIS . 13.3 t -71.39 -59.39 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.714 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.405 HG23 ' H ' ' B' ' 68' ' ' LEU . 5.5 m -64.62 1.12 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.599 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.44 ' H ' ' C ' ' B' ' 65' ' ' SER . 21.2 m80 58.65 14.18 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.083 178.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.469 HD13 ' O ' ' B' ' 68' ' ' LEU . 0.2 OUTLIER -74.76 -14.97 60.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.568 -0.531 . . . . 1.0 109.568 -179.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.497 HG12 ' N ' ' B' ' 70' ' ' LYS . 87.2 t -137.94 157.88 32.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.472 179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.497 ' N ' HG12 ' B' ' 69' ' ' VAL . 83.7 tttt -163.98 128.83 2.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.298 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.59 174.56 5.84 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.982 0.42 . . . . 1.0 110.621 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -149.54 168.16 24.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.104 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -75.68 135.05 40.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.538 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -149.35 78.95 1.39 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.322 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.459 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 59.12 52.27 54.35 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.104 -0.798 . . . . 1.0 111.104 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 73.72 -28.67 0.19 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.555 0.217 . . . . 1.0 110.983 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.459 ' H ' ' C ' ' B' ' 75' ' ' GLY . 8.8 t -81.06 128.13 33.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.768 0.318 . . . . 1.0 110.637 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 39.1 tpp -83.29 107.11 15.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.524 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.412 HG23 ' O ' ' B' ' 79' ' ' ILE . 20.8 tt -94.02 133.1 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.719 -179.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -110.85 143.13 41.91 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.379 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 27.8 t -144.98 171.07 14.97 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.53 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.413 ' C ' ' H ' ' B' ' 84' ' ' ASP . 22.0 mt -68.6 -32.44 72.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.833 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 67.56 -3.89 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.815 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.413 ' H ' ' C ' ' B' ' 82' ' ' LEU . 8.4 m-20 -157.82 147.84 20.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.509 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 23.8 pt -97.76 -18.92 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.477 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.564 ' NE2' ' ND1' ' A' ' 96' ' ' HIS . 32.1 m80 -51.04 -16.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.8 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 35.8 m -90.81 -27.57 4.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.564 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.2 -42.17 76.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.658 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 34.4 m -77.58 -41.4 38.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.726 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 25.7 ttt -60.61 -40.35 91.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.721 -179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -67.96 -38.4 82.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.328 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -78.08 -9.27 59.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.783 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -88.13 -26.32 22.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.59 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.47 -50.99 18.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.418 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.0 mm -58.95 -27.99 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.439 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -66.06 -57.4 7.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.679 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' B' ' 99' ' ' ASN . 13.6 t60 -54.0 -70.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.437 -0.347 . . . . 1.0 110.832 -178.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -36.15 -25.94 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.102 -0.499 . . . . 1.0 112.086 -177.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' B' ' 97' ' ' HIS . 5.2 p-10 -161.68 112.89 1.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.827 -0.349 . . . . 1.0 110.984 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.82 151.63 93.21 Favored Pre-proline 0 C--N 1.328 -0.332 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.87 -9.37 25.58 Favored 'Trans proline' 0 C--N 1.31 -1.483 0 C-N-CA 121.86 1.707 . . . . 1.0 111.881 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -62.74 143.74 57.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.48 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.983 -1.008 . . . . 1.0 110.644 -179.901 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.2 m120 . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 10' ' ' THR . 1.5 t -83.94 -21.59 31.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.641 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -71.3 -19.11 62.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.536 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.2 m -69.63 -70.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.74 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.0 mp -43.64 -42.42 5.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.526 -179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -52.01 -61.26 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.015 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 18' ' ' GLU . 52.2 mtp180 -55.31 -52.5 63.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.3 t -43.42 -23.19 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.008 -178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 15' ' ' ARG . 11.9 m -81.98 -40.75 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.498 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 15' ' ' ARG . 33.9 tt0 -61.61 -19.45 62.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.831 -179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.9 mm -69.99 -36.21 67.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.78 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -71.45 -65.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.609 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -46.06 -23.28 0.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.59 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.58 -34.99 58.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.985 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.6 mt -76.08 3.51 10.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.825 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 25' ' ' ASP . . . -55.19 -172.86 0.09 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 24' ' ' GLY . 4.8 m-20 55.45 108.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.798 0.333 . . . . 1.0 110.754 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -59.4 -37.17 77.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.714 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -58.39 -33.87 70.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.731 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -67.89 -30.02 69.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.947 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.0 mt -74.83 -26.96 19.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.967 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -70.18 -30.86 68.1 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.856 -0.338 . . . . 1.0 110.506 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.1 mm -63.22 -57.9 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.376 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 48.4 mtm -47.22 -37.66 10.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.525 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -59.66 -32.39 70.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.34 179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.3 OUTLIER -75.85 -52.36 10.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.037 -0.529 . . . . 1.0 109.95 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' ' 35' ' ' LEU . 13.9 mt -59.2 -15.75 16.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.483 178.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.5 t -75.39 -58.2 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.61 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.3 m -58.45 -35.27 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.652 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t 178.91 146.84 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 1.0 110.814 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.602 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.6 pm0 -49.73 175.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.637 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.1 144.91 19.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.7 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.1 m -87.89 -167.93 2.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.742 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.7 t -81.56 -63.6 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.883 -179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.27 -28.21 73.54 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 120.772 -0.728 . . . . 1.0 111.684 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -74.7 -39.24 62.07 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.193 0.442 . . . . 1.0 112.193 -175.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 10.8 tt -76.19 -13.81 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.649 -177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 50' ' ' ASN . 90.5 p -64.64 -63.97 0.99 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.878 0.37 . . . . 1.0 110.567 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -55.54 -22.94 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.482 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -67.5 -16.92 64.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.087 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.0 tp -168.04 49.45 0.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.395 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.473 ' CG ' ' H ' ' A' ' 51' ' ' LEU . 36.9 t-20 51.49 -139.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.747 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' H ' ' CG ' ' A' ' 50' ' ' ASN . 8.7 mp 52.27 179.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 76.7 p -151.36 175.71 11.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.811 -178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -41.22 -43.48 2.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.778 -0.646 . . . . 1.0 111.45 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.8 m -55.02 -52.29 63.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.083 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -78.99 -38.14 37.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.182 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.6 t -68.23 -43.91 84.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 1.0 110.846 -178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 56.5 m -59.46 -37.75 78.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.561 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 61' ' ' LYS . 31.4 t-80 -70.38 -69.6 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.225 -178.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.404 ' CG ' ' N ' ' A' ' 60' ' ' LEU . 2.6 pt20 -44.05 -42.27 6.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.971 -178.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.404 ' N ' ' CG ' ' A' ' 59' ' ' GLN . 10.2 tp -53.7 -34.85 60.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 1.0 110.448 178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' HIS . 50.7 tttp -60.64 -34.25 73.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.933 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.581 HD22 ' N ' ' A' ' 62' ' ' LEU . 3.3 mm? -69.06 -27.24 65.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.34 -179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.6 mt -79.69 -39.36 31.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.738 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.47 ' NZ ' ' H ' ' A' ' 71' ' ' ALA . 61.9 tttp -64.75 -20.01 66.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.609 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.524 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 83.0 p -74.12 -57.5 3.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.011 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.468 ' C ' ' CG ' ' A' ' 67' ' ' HIS . 7.5 p -66.07 -5.35 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.65 -178.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.524 ' CD2' ' O ' ' A' ' 65' ' ' SER . 4.8 m80 78.33 14.81 1.38 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.827 -0.624 . . . . 1.0 112.164 175.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 49.6 mt -80.06 -12.07 59.72 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.633 -0.506 . . . . 1.0 109.633 176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 70' ' ' LYS . 93.1 t -139.85 159.51 26.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.87 -0.605 . . . . 1.0 109.876 179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.516 ' N ' HG12 ' A' ' 69' ' ' VAL . 64.4 tttm -146.83 136.25 22.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.276 -179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' H ' ' NZ ' ' A' ' 64' ' ' LYS . . . -102.38 142.85 32.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.455 -179.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -148.92 163.07 38.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.13 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 85.0 mtm-85 -89.3 131.63 35.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.265 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -140.76 78.86 1.67 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.066 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.34 -99.96 2.21 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.766 -0.934 . . . . 1.0 110.766 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -133.17 13.39 4.24 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.741 0.305 . . . . 1.0 110.419 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.2 p -128.25 135.29 49.46 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.471 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 78' ' ' MET . 1.7 mpt? -85.91 87.66 7.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.436 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.1 mt -91.34 148.32 4.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.427 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -137.6 173.94 11.12 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.281 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.3 t -172.17 -156.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.568 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.0 mt -68.8 -160.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.629 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -154.07 -7.64 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.54 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.493 ' OD2' ' ND1' ' A' ' 86' ' ' HIS . 44.1 t0 -167.96 160.27 12.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.428 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.458 ' N ' ' OD1' ' A' ' 84' ' ' ASP . 21.4 pt -81.7 -4.58 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.73 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.493 ' ND1' ' OD2' ' A' ' 84' ' ' ASP . 32.6 m170 -78.42 -24.75 46.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.58 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.74 -46.09 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.732 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.34 -64.13 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.86 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.1 p -44.97 -48.47 11.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.938 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 22.0 ttt -42.13 -48.98 4.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.243 -179.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.2 mt -65.76 -37.87 87.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.978 -179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.525 ' O ' ' ND1' ' A' ' 96' ' ' HIS . 90.9 mttt -78.66 -12.72 60.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.189 -177.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -85.22 -20.99 29.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.822 0.344 . . . . 1.0 110.517 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -80.64 -59.39 2.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.542 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.53 -25.37 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.796 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 92' ' ' LYS . 0.3 OUTLIER -68.62 -47.98 65.24 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.861 -0.336 . . . . 1.0 110.537 179.224 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -63.88 -14.05 50.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.797 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.94 -67.04 0.53 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.905 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.455 ' N ' HD22 ' A' ' 99' ' ' ASN . 1.6 m-80 -72.71 56.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.86 -178.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.598 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 1.9 t-160 -79.76 -38.16 1.19 Allowed Pre-proline 0 CA--C 1.531 0.238 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 100' ' ' HIS . 52.5 Cg_exo -53.4 -162.76 0.0 OUTLIER 'Trans proline' 0 N--CA 1.495 1.58 0 C-N-CA 122.072 1.848 . . . . 1.0 112.335 -178.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.526 ' N ' ' CD ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -155.62 162.96 40.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.603 178.669 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.975 -1.012 . . . . 1.0 110.786 -179.466 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.365 -0.605 . . . . 1.0 109.365 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 27.1 p -56.08 -25.16 44.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.5 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -73.53 -53.51 10.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.747 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 51.1 p -60.67 -50.89 71.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.518 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 36.6 tp -50.41 -29.33 9.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.532 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -61.03 -59.26 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.629 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 -58.03 -42.27 84.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.745 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 84.2 t -53.63 -32.87 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.76 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.6 m -74.7 -39.65 61.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.676 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -60.88 -16.3 40.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.731 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.451 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 98.4 mt -69.39 -70.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 120.674 -0.411 . . . . 1.0 110.507 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -40.38 -63.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.466 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -44.45 -33.49 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.145 -178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -66.74 -29.64 69.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.342 -177.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.539 HD22 ' N ' ' B' ' 23' ' ' LEU . 3.1 mm? -89.46 12.19 17.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.579 0.228 . . . . 1.0 110.506 -179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.19 -163.65 11.92 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 60.74 115.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.953 0.406 . . . . 1.0 110.644 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -51.08 -57.96 7.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.855 -0.611 . . . . 1.0 111.196 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -46.31 -38.36 8.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 1.0 111.638 -177.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.557 HH12 ' CG ' ' B' ' 59' ' ' GLN . 80.0 mtt-85 -69.2 -43.25 74.53 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.972 -0.291 . . . . 1.0 111.363 -177.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 97.0 mt -51.67 -29.89 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.695 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -73.1 -33.65 65.7 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.925 -0.31 . . . . 1.0 110.896 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 55.6 mt -60.29 -42.08 89.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.505 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 13.5 tpt -71.08 -40.42 71.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.907 0.384 . . . . 1.0 110.706 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -53.9 -54.79 33.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.44 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 pp -68.24 -28.71 67.47 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.818 -0.353 . . . . 1.0 111.313 -176.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 38.3 mt -64.61 -40.42 95.45 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.769 -0.456 . . . . 1.0 109.769 177.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 62.0 p -55.94 -43.14 77.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.501 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.8 t -67.08 -48.78 78.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.454 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 13.9 t -161.17 147.98 14.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.644 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -64.21 176.84 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.572 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.32 135.44 11.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.523 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 17.6 m -69.97 -168.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.384 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.657 HG13 ' N ' ' B' ' 43' ' ' GLY . 14.6 p -72.57 -60.41 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.616 -0.434 . . . . 1.0 110.759 -178.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.657 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -75.14 -32.82 55.62 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.535 -0.626 . . . . 1.0 111.535 -178.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -49.35 -20.18 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.753 0.311 . . . . 1.0 110.836 -178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.563 HG22 ' O ' ' B' ' 42' ' ' VAL . 11.2 tt -74.86 -25.74 18.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.796 -178.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.511 ' O ' ' N ' ' B' ' 50' ' ' ASN . 73.7 m -49.66 -59.11 4.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.009 -178.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -43.82 -18.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.305 -178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' B' ' 46' ' ' SER . 8.5 tp-100 -92.79 -57.63 2.6 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.764 0.316 . . . . 1.0 110.597 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 17.6 mt -100.18 -46.48 5.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.348 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' B' ' 46' ' ' SER . 20.0 t-20 57.4 87.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.743 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 57.4 mt -134.4 -85.72 0.41 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.335 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 10.2 t -157.93 127.29 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -47.24 -36.42 8.97 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.823 -0.351 . . . . 1.0 110.7 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.9 p -62.23 -27.02 68.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.761 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.88 -40.12 63.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.859 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 88.9 t -70.96 -45.99 70.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.635 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 30.8 t -54.25 -36.25 63.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.23 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -79.42 -67.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.642 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . 0.557 ' CG ' HH12 ' B' ' 28' ' ' ARG . 28.9 tt0 -49.41 -27.38 4.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.432 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 37.1 tp -75.14 -41.18 58.9 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.636 -176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -63.46 -22.04 66.66 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.477 -0.489 . . . . 1.0 110.575 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 23.4 mt -71.55 -43.55 66.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.357 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 15.7 mt -59.2 -30.83 68.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.455 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -66.07 -37.5 85.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.568 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 9.0 m -53.47 -40.88 65.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.475 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.1 t -77.32 -11.69 13.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.086 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 67.74 16.97 9.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.919 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 38.6 tp -63.19 -14.2 46.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.043 0.449 . . . . 1.0 110.272 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.3 m -146.02 172.51 3.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.554 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -151.92 120.99 6.67 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.18 163.34 12.29 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.014 0.435 . . . . 1.0 110.939 -177.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 48.2 mmtt -140.72 156.6 46.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.834 -0.621 . . . . 1.0 109.643 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.505 ' N ' ' CD ' ' B' ' 73' ' ' ARG . 0.8 OUTLIER -82.64 116.75 22.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.269 179.638 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -149.68 115.48 5.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 1.0 109.989 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.9 -169.18 52.94 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.222 -1.151 . . . . 1.0 110.222 -177.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -81.31 33.56 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.808 0.337 . . . . 1.0 110.612 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 84.5 p -151.06 166.35 31.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.035 0.445 . . . . 1.0 110.692 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 49.7 mtt -109.84 92.06 3.9 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.354 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -78.41 147.6 6.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.487 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.5 ' O ' ' CD1' ' B' ' 80' ' ' TYR . 47.5 p90 -150.56 128.47 11.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.376 -0.374 . . . . 1.0 110.439 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 46.0 p -123.38 -144.93 0.34 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.829 0.347 . . . . 1.0 110.271 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 9.7 mt -74.38 163.42 27.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.709 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -79.24 -67.93 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.809 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -159.11 -179.02 7.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.729 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.525 ' O ' ' CD2' ' B' ' 86' ' ' HIS . 13.5 pt -74.05 62.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.69 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' B' ' 85' ' ' ILE . 37.2 m80 -150.05 -24.65 0.26 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.519 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.498 HG23 ' N ' ' B' ' 88' ' ' ALA . 34.3 m -76.33 -41.11 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.858 -179.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.498 ' N ' HG23 ' B' ' 87' ' ' VAL . . . -74.15 -22.84 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.951 -178.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 32.6 p -72.65 -40.82 66.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.878 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 20.8 ttt -79.83 -29.22 40.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.967 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.82 -53.51 39.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.81 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.445 ' CG ' ' N ' ' B' ' 93' ' ' GLN . 17.7 ptmt -62.8 -52.59 62.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.832 -178.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.445 ' N ' ' CG ' ' B' ' 92' ' ' LYS . 79.8 mt-30 -45.99 -27.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.671 0.272 . . . . 1.0 110.865 -178.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.27 -41.86 47.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 1.0 110.343 179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 84.4 mt -72.73 -26.16 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.429 179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -72.69 -25.29 61.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.381 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.41 ' C ' ' H ' ' B' ' 99' ' ' ASN . 19.3 t60 -83.8 -20.36 33.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.417 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.57 5.45 1.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.65 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' B' ' 97' ' ' HIS . 57.1 t30 -158.63 -59.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.259 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 83.3 t60 50.37 62.86 10.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.729 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.417 ' C ' ' N ' ' B' ' 103' ' ' GLU . 95.3 Cg_endo -75.59 70.09 5.8 Favored 'Trans proline' 0 C--N 1.308 -1.589 0 C-N-CA 122.378 2.052 . . . . 1.0 111.791 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -47.62 -17.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.763 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' B' ' 103' ' ' GLU . 29.5 mp0 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.596 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.2 p30 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.471 -0.566 . . . . 1.0 109.471 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.4 p -89.36 -22.03 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.54 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.477 ' CG ' ' H ' ' A' ' 12' ' ' THR . 8.2 p-10 -86.92 -64.34 1.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.569 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.477 ' H ' ' CG ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -52.46 -24.36 7.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.715 -179.522 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.426 ' O ' HG22 ' A' ' 16' ' ' VAL . 19.7 tp -72.96 -53.54 10.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.194 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -62.62 -12.02 20.58 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.913 -0.315 . . . . 1.0 110.705 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 -72.39 -60.58 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.752 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 13' ' ' LEU . 6.4 m -50.27 -18.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.471 -179.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.1 m -77.7 -35.56 51.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.279 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -64.3 -20.1 65.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.618 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.448 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 60.4 mt -63.54 -70.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.634 -0.426 . . . . 1.0 110.176 178.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' ' 23' ' ' LEU . 98.1 m-85 -40.55 -58.11 1.67 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.258 -179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -44.35 -32.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.001 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 19' ' ' ILE . . . -70.67 -30.43 67.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.924 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 23' ' ' LEU . 3.1 mm? -81.22 -5.45 57.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.291 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.516 ' O ' ' N ' ' A' ' 26' ' ' TYR . . . -55.12 -46.7 77.37 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.231 -0.748 . . . . 1.0 111.231 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 25' ' ' ASP . 25.4 p-10 -46.45 90.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.999 0.428 . . . . 1.0 110.681 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 24' ' ' GLY . 36.5 t80 -46.62 -67.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.382 -179.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -40.24 -32.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.754 -177.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' ILE . 1.0 OUTLIER -69.49 -51.44 35.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.413 . . . . 1.0 110.424 -178.224 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 76.0 mt -42.65 -35.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.395 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.6 ttp180 -69.99 -33.3 71.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 1.0 110.752 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 28' ' ' ARG . 62.5 mt -71.0 -30.45 41.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.242 178.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 38.1 ttp -63.18 -31.93 73.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.265 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -67.26 -31.23 71.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.359 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.9 tp -70.8 -58.98 3.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.306 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.2 mt -52.53 -24.35 7.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.874 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.5 t -64.85 -54.06 36.92 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.839 -0.344 . . . . 1.0 110.455 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 50.1 t -57.68 -37.6 60.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.528 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.3 t -177.55 146.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.631 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -53.01 160.52 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.229 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.04 149.89 23.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.903 0.382 . . . . 1.0 110.761 -178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.3 t -87.25 162.44 17.44 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.451 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.2 t -49.04 -49.67 15.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.092 -179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.72 -46.03 92.71 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.237 -0.745 . . . . 1.0 111.237 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -52.0 -30.11 23.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.557 0.217 . . . . 1.0 111.026 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 16.5 mm -65.96 -27.94 42.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 50' ' ' ASN . 17.8 m -53.34 -62.71 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.867 -178.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -55.95 -18.32 8.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.318 -0.401 . . . . 1.0 111.447 -177.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -72.14 -23.22 61.27 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.792 -0.363 . . . . 1.0 111.21 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 tp -163.18 22.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.683 -0.407 . . . . 1.0 110.938 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 46' ' ' SER . 5.9 m-80 43.09 91.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 1.0 110.971 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 tp -152.96 170.11 21.21 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.154 -178.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.1 t -83.02 150.94 26.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.501 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -73.05 -51.66 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.607 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.5 m -45.99 -36.03 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.692 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.404 ' N ' HD22 ' A' ' 55' ' ' ASN . 1.9 m120 -68.57 -44.47 74.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.733 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.86 -37.96 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.611 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.9 p -63.28 -44.92 93.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.346 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -60.43 -52.05 66.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.596 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -51.74 -59.91 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.62 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.8 mt -44.28 -25.03 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.103 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -70.67 -40.89 72.71 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.721 -0.392 . . . . 1.0 110.559 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.584 ' N ' HD12 ' A' ' 62' ' ' LEU . 9.4 mp -62.03 -30.59 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.118 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.591 ' N ' HD12 ' A' ' 63' ' ' LEU . 7.5 mp -78.98 -31.12 44.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.246 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -66.12 -21.64 66.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.374 179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.484 ' C ' ' H ' ' A' ' 67' ' ' HIS . 44.2 m -73.83 -49.22 26.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.119 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.1 p -76.0 30.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.235 0.541 . . . . 1.0 110.62 -178.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.484 ' H ' ' C ' ' A' ' 65' ' ' SER . 23.8 m80 59.36 9.68 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.683 -0.69 . . . . 1.0 112.452 175.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.4 tp -100.38 145.23 28.44 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.2 t 65.73 149.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.306 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -142.14 174.93 10.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.066 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -131.38 130.64 42.88 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.026 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -117.57 137.03 52.87 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.345 -179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -90.68 128.1 36.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.19 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -147.1 97.56 2.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.859 0.361 . . . . 1.0 110.19 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.94 -100.34 1.47 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.725 -0.95 . . . . 1.0 110.725 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -128.17 -25.48 2.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.795 0.331 . . . . 1.0 110.422 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.9 t -89.42 144.73 25.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.64 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 41.6 mtp -97.36 99.78 11.22 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.185 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.4 mm -79.31 132.19 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.89 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -110.7 142.92 41.97 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.365 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 82.3 p -153.83 -178.21 6.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.633 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.7 163.26 27.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.755 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -70.91 -60.47 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.658 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 18.0 t70 -162.02 -169.96 2.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.461 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.526 ' O ' ' CD2' ' A' ' 86' ' ' HIS . 11.2 mm -73.48 70.72 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.607 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 85' ' ' ILE . 25.0 m170 -154.28 -30.25 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.3 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 44.8 t -81.22 -34.29 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.72 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.48 -61.05 2.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.803 -179.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -55.46 -38.95 69.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.767 -179.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 42.1 ttm -51.26 -46.11 62.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.574 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.1 tp -58.57 -42.73 88.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.283 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.7 mttm -67.77 -63.28 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.904 -179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -40.2 -31.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.705 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.402 ' C ' ' H ' ' A' ' 96' ' ' HIS . . . -69.95 -66.36 0.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.78 0.324 . . . . 1.0 111.015 -178.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.603 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.6 mp -59.94 -5.25 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.794 -0.447 . . . . 1.0 109.794 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.402 ' H ' ' C ' ' A' ' 94' ' ' ALA . 57.3 t60 -73.28 -63.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.736 -0.386 . . . . 1.0 110.405 178.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 97' ' ' HIS . 33.6 t60 -56.71 -16.34 6.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.486 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.76 -71.94 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.465 179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -73.58 -57.6 3.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.403 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 46.3 64.55 8.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.604 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.63 127.78 7.4 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.783 2.322 . . . . 1.0 112.054 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -72.08 -44.64 62.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.551 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.53 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.402 -0.592 . . . . 1.0 109.402 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 26.4 m -47.34 -20.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.537 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -55.45 -43.43 75.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.539 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.4 p -60.29 -44.37 95.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.483 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.523 ' O ' HD13 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -44.43 -37.44 3.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.227 -179.78 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 76.9 tt0 -63.87 -58.54 6.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.581 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' B' ' 18' ' ' GLU . 41.1 ttm180 -52.38 -45.17 65.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.908 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 90.8 t -45.68 -23.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.439 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 29.7 m -76.13 -41.17 50.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.349 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' B' ' 15' ' ' ARG . 81.3 tt0 -56.96 -18.16 12.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.678 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 51.9 mt -70.94 -63.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.796 -0.362 . . . . 1.0 110.742 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -48.37 -63.88 0.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.837 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -47.5 -37.49 12.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.213 -177.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.65 4.9 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.367 . . . . 1.0 110.684 -179.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.5 tp -121.79 -17.51 7.36 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.185 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.71 77.07 0.8 Allowed Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.976 -0.849 . . . . 1.0 110.976 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -164.09 114.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.863 0.363 . . . . 1.0 110.538 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -51.2 -26.42 6.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.769 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.517 HD22 ' C ' ' B' ' 27' ' ' ASN . 0.4 OUTLIER -75.91 -47.04 26.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.201 -178.302 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -75.64 -35.14 60.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.174 -177.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.63 -43.72 95.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.206 -177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.534 ' NH1' HE21 ' B' ' 48' ' ' GLN . 43.4 ttt-85 -73.54 -33.04 64.52 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.636 -0.426 . . . . 1.0 111.304 -177.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 88.9 mt -66.29 -35.62 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 C-N-CA 120.745 -0.382 . . . . 1.0 109.986 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 7.4 mmt -60.81 -36.7 79.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.367 178.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -62.34 -33.98 75.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.733 179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 18.8 tp -70.85 -54.37 11.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.337 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 34.8 mt -58.82 -12.95 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.795 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -78.89 -40.08 33.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.409 -0.36 . . . . 1.0 110.572 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 47.1 t -71.63 -37.03 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.687 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 34.6 p -173.51 161.69 4.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.666 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.507 ' N ' ' OE2' ' B' ' 39' ' ' GLU . 1.8 mp0 -72.41 156.01 39.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.399 179.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.22 144.25 18.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.867 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.8 m -80.12 166.68 21.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.188 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.579 HG23 ' N ' ' B' ' 43' ' ' GLY . 24.2 m -54.42 -50.34 58.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.69 -0.404 . . . . 1.0 110.644 -179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.579 ' N ' HG23 ' B' ' 42' ' ' VAL . . . -61.06 -34.54 88.31 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.184 -0.766 . . . . 1.0 111.184 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 50.1 m170 -66.03 -27.18 67.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.775 0.321 . . . . 1.0 110.731 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 96.0 mt -70.26 -22.28 24.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.239 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.528 ' O ' ' N ' ' B' ' 50' ' ' ASN . 7.6 m -53.57 -55.77 22.82 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.438 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -45.13 -21.22 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.835 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.534 HE21 ' NH1' ' B' ' 30' ' ' ARG . 33.4 tp60 -90.11 -45.27 9.24 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.162 178.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 38.9 mt -134.25 59.29 1.74 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.004 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' B' ' 46' ' ' SER . 40.9 m-80 -48.6 96.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.792 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 72.3 mt -137.1 -78.94 0.39 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.387 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -157.75 132.14 8.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.357 179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.564 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 3.0 mp0 -63.39 -50.19 70.87 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.83 -0.348 . . . . 1.0 110.684 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.1 p -48.7 -30.98 6.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.695 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -74.06 -39.59 63.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.418 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.63 -44.58 76.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.318 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.4 p -59.98 -38.47 82.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.269 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -67.32 -40.3 85.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.545 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -66.69 -62.48 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.355 -178.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 31.6 mt -44.72 -27.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.968 -0.293 . . . . 1.0 111.348 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt -70.18 -37.41 75.13 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.719 -0.392 . . . . 1.0 110.585 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 14.0 mt -63.37 -35.1 79.28 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.697 -0.401 . . . . 1.0 110.575 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.571 HD12 ' N ' ' B' ' 63' ' ' LEU . 8.1 mp -69.88 -25.62 63.8 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.313 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -61.28 -45.08 95.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.667 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.469 ' O ' ' CE1' ' B' ' 67' ' ' HIS . 26.6 t -54.5 -36.37 64.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.718 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 2.8 t -74.9 0.41 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.459 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.469 ' CE1' ' O ' ' B' ' 65' ' ' SER . 13.4 m80 65.6 12.98 8.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.96 -0.564 . . . . 1.0 111.352 178.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 71.7 mt -76.96 -108.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.368 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 10.2 m -43.38 156.88 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.843 0.354 . . . . 1.0 111.084 -178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -149.03 172.54 14.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 1.0 109.985 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.12 131.71 11.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.949 0.404 . . . . 1.0 110.632 -179.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . 0.454 ' NZ ' ' CB ' ' B' ' 72' ' ' LYS . 8.4 mtpm? -110.04 161.82 15.15 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.998 -0.547 . . . . 1.0 110.399 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.46 ' N ' ' CD ' ' B' ' 73' ' ' ARG . 0.8 OUTLIER -89.95 124.89 35.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 1.0 109.959 178.465 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -152.68 93.99 1.83 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.666 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.02 28.58 53.91 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.307 -0.717 . . . . 1.0 111.307 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 71.7 18.78 5.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.925 0.393 . . . . 1.0 110.535 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 6.4 t -126.88 132.07 51.02 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.332 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.443 ' SD ' ' N ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -84.33 110.91 18.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.467 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 17.0 mm -93.12 120.87 43.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.606 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -96.15 132.95 41.03 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.603 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 18.9 p -132.19 161.14 34.12 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.256 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' B' ' 84' ' ' ASP . 10.5 tp -78.27 65.32 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.892 -178.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 50.65 -86.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.119 178.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.513 ' N ' ' O ' ' B' ' 82' ' ' LEU . 12.6 m-20 -148.94 168.99 21.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.098 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 pt -61.29 -2.15 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.848 -0.614 . . . . 1.0 110.753 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.44 ' O ' HG22 ' B' ' 89' ' ' THR . 34.0 m170 -71.0 -80.98 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.352 179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 61.7 t -45.92 -20.45 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.748 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.419 ' N ' ' C ' ' B' ' 86' ' ' HIS . . . -59.37 -61.48 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.646 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . 0.44 HG22 ' O ' ' B' ' 86' ' ' HIS . 0.9 OUTLIER -61.47 -28.85 69.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.594 -179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 9.1 ttt -62.75 -38.01 88.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.284 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . 0.5 ' O ' HD23 ' B' ' 91' ' ' LEU . 1.1 tt -57.51 -48.52 79.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.525 . . . . 1.0 109.766 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -65.2 -56.0 15.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.735 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -46.43 -28.33 1.33 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.447 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.23 -66.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 1.0 110.836 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . 0.429 ' O ' ' ND2' ' B' ' 99' ' ' ASN . 11.1 tt -55.04 -14.02 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.76 -179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -68.59 -58.46 4.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.609 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -60.07 -21.21 61.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.607 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.3 -76.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.383 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.522 ' C ' HD22 ' B' ' 99' ' ' ASN . 0.1 OUTLIER -80.28 69.18 6.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.293 179.027 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.585 ' N ' ' CD ' ' B' ' 101' ' ' PRO . 19.2 t60 -74.1 -34.86 2.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 1.0 112.132 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' B' ' 100' ' ' HIS . 71.5 Cg_exo -50.44 123.6 11.58 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 121.592 1.528 . . . . 1.0 112.132 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -69.86 -61.99 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.731 -179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 117.956 -1.021 . . . . 1.0 110.333 -179.556 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.546 ' ND2' ' H ' ' A' ' 12' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.242 -0.651 . . . . 1.0 109.242 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -86.96 -13.05 45.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.478 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.402 ' H ' HD22 ' A' ' 9' ' ' ASN . 12.8 t70 -74.6 -38.42 62.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.635 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.546 ' H ' ' ND2' ' A' ' 9' ' ' ASN . 87.9 m -53.54 -67.17 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.78 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 13' ' ' LEU . 10.0 mp -46.75 -33.94 4.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.351 -179.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -72.87 -35.52 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.991 0.424 . . . . 1.0 110.074 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 12' ' ' THR . 38.4 ttm180 -75.55 -51.8 12.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.877 -0.602 . . . . 1.0 110.768 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.3 t -50.91 -38.93 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.755 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.8 m -68.03 -36.62 80.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.636 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -59.99 -22.32 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.891 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.3 mm -70.54 -32.42 49.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.422 -0.353 . . . . 1.0 110.884 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.444 ' CE2' HD11 ' B' ' 23' ' ' LEU . 58.5 m-85 -77.31 -63.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.894 -179.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -50.52 -26.27 5.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 1.0 110.469 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.52 3.19 9.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.842 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.1 mt -130.97 15.24 5.23 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.184 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.99 -65.05 3.84 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.804 -0.918 . . . . 1.0 110.804 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -48.04 120.87 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 1.0 110.73 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -68.58 -25.15 64.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.858 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -57.23 -37.65 72.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.92 -178.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.53 -22.2 59.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.995 -178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.7 mt -76.87 -35.93 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.42 -0.354 . . . . 1.0 110.949 -178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -70.49 -32.06 69.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.844 -0.343 . . . . 1.0 110.675 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.9 mt -71.5 -53.34 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.58 179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.403 ' O ' ' OG ' ' A' ' 36' ' ' SER . 56.5 mtt -49.83 -34.06 18.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.783 -179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -66.07 -40.19 90.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.919 0.39 . . . . 1.0 110.624 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.524 HD23 HE22 ' A' ' 48' ' ' GLN . 0.2 OUTLIER -61.99 -57.06 13.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.064 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 35' ' ' LEU . 10.1 mp -54.7 -22.37 13.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.711 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 32' ' ' MET . 2.0 m -63.18 -33.63 75.9 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.424 -0.51 . . . . 1.0 109.841 178.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 t -78.76 -38.8 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.429 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.8 p -169.48 130.71 1.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.87 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.595 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 1.3 pm0 -48.14 172.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.867 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.49 146.2 19.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.551 179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.6 t -89.53 -170.21 2.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.564 179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.9 t -69.88 -61.45 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.114 0.483 . . . . 1.0 110.586 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.51 -37.68 89.15 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -71.92 -43.37 65.42 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 12.6 tt -73.21 -18.37 18.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 C-N-CA 120.259 -0.576 . . . . 1.0 111.003 -176.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.555 ' CB ' HE22 ' A' ' 53' ' ' GLN . 5.3 m -63.13 -15.32 56.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.008 0.432 . . . . 1.0 110.536 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.504 ' N ' ' ND1' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -81.99 -11.23 58.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.136 179.211 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.524 HE22 HD23 ' A' ' 34' ' ' LEU . 33.5 tp60 -75.04 -45.85 38.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.928 -178.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.4 tp -171.19 -30.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.678 -0.409 . . . . 1.0 111.147 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 46' ' ' SER . 15.3 m120 -84.35 129.14 34.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.567 -0.288 . . . . 1.0 110.899 -178.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.607 HD12 ' N ' ' A' ' 51' ' ' LEU . 8.4 mp -87.91 -63.84 1.24 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.895 0.379 . . . . 1.0 110.018 178.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.0 m -72.4 141.94 48.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.63 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.555 HE22 ' CB ' ' A' ' 46' ' ' SER . 46.8 mm-40 -80.94 -51.56 8.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.913 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -44.79 -27.64 0.54 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.868 -179.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -67.31 -44.4 79.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.621 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.33 -34.65 49.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.828 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -57.3 -40.72 78.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.023 0.44 . . . . 1.0 109.945 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.32 -52.23 59.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.292 178.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -49.53 -63.74 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.023 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.6 mt -42.49 -25.49 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.454 -178.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -70.86 -42.14 70.49 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.965 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.533 HD22 ' N ' ' A' ' 62' ' ' LEU . 3.2 mm? -67.59 -47.96 68.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.59 -179.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.5 mt -55.87 -27.26 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.667 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -72.04 -31.86 66.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.404 -178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.474 ' C ' ' H ' ' A' ' 67' ' ' HIS . 15.0 t -55.37 -57.81 10.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.664 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 66' ' ' VAL . 2.6 p -62.94 0.7 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.258 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.474 ' H ' ' C ' ' A' ' 65' ' ' SER . 26.6 t60 64.47 15.1 9.35 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.18 177.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.406 ' H ' HG13 ' A' ' 66' ' ' VAL . 21.2 tp -64.08 -113.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.725 -0.472 . . . . 1.0 109.725 179.131 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 68' ' ' LEU . 20.9 m -46.93 174.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.945 0.402 . . . . 1.0 110.914 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -142.53 175.01 10.12 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.051 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.04 158.78 38.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.423 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.429 ' O ' HG22 ' A' ' 79' ' ' ILE . 30.3 ttmt -149.69 116.99 6.05 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.599 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -60.53 151.22 29.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.182 0.515 . . . . 1.0 111.408 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -153.06 87.67 1.28 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.27 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 74.12 62.92 2.8 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 57.56 1.13 0.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.453 0.168 . . . . 1.0 111.435 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 75' ' ' GLY . 61.1 m -108.73 132.57 53.82 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.802 0.334 . . . . 1.0 110.367 179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.412 ' H ' ' HG2' ' A' ' 78' ' ' MET . 15.6 ptt? -98.46 118.29 34.82 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.394 179.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 79' ' ' ILE . 10.4 tp -95.44 123.26 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.48 -178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.434 ' CE2' ' CD2' ' A' ' 35' ' ' LEU . 14.7 t80 -101.4 136.06 41.87 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.211 -0.45 . . . . 1.0 109.941 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 p -165.86 -160.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.879 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.8 mt -78.81 176.72 9.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.829 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -93.71 -63.18 1.23 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.921 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.457 ' O ' HG23 ' A' ' 85' ' ' ILE . 74.3 m-20 -145.69 -83.56 0.13 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.24 -177.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.626 ' C ' HD12 ' A' ' 85' ' ' ILE . 2.4 pp -156.93 -2.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.526 179.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.617 ' N ' HD12 ' A' ' 85' ' ' ILE . 52.7 m80 -77.84 -35.87 50.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.176 179.267 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 37.0 t -67.13 -43.33 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.549 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.37 -52.94 15.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.456 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.7 m -49.21 -31.12 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.377 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 36.6 tpp -62.62 -41.59 99.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.629 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.5 mt -72.36 -49.94 30.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.914 -179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -56.99 -24.13 51.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.223 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -86.08 -23.56 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.815 0.34 . . . . 1.0 110.551 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.16 -47.59 42.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.508 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.4 mm -68.18 -23.69 29.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.524 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.508 ' NE2' ' ND1' ' B' ' 86' ' ' HIS . 43.5 t60 -67.33 -60.24 2.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.792 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.521 ' O ' ' NE2' ' A' ' 100' ' ' HIS . 71.3 t60 -63.17 -18.3 63.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.992 -178.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.33 -77.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.9 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.528 ' O ' ' CD2' ' A' ' 100' ' ' HIS . 19.7 p30 -86.91 168.62 13.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.713 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 99' ' ' ASN . 87.6 m-70 -158.8 68.0 3.35 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.573 -179.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -83.56 -21.97 4.02 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.936 2.424 . . . . 1.0 112.348 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -66.33 140.27 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.713 -179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 118.08 -0.962 . . . . 1.0 110.62 179.855 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 44.7 p30 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 8.7 t -83.78 -15.37 48.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.582 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -75.77 -30.42 59.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.526 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 18.4 p -52.05 -37.66 54.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.597 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.58 ' N ' HD12 ' B' ' 13' ' ' LEU . 7.9 mp -77.41 -36.25 53.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.198 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.75 -10.59 13.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.707 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' B' ' 17' ' ' THR . 92.8 mtt180 -93.48 -70.12 0.72 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.887 -179.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 20.6 m -44.24 -15.56 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.316 -178.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.514 ' N ' ' O ' ' B' ' 15' ' ' ARG . 16.1 p -78.75 -51.78 9.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.14 -178.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' B' ' 22' ' ' ALA . 5.6 pt-20 -64.45 -16.02 61.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.821 -178.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 35.7 mm -67.31 -37.57 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.661 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -70.88 -66.72 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.488 -0.324 . . . . 1.0 111.01 -178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -55.17 -21.88 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.473 -177.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' B' ' 18' ' ' GLU . . . -50.51 -32.92 19.62 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.908 -0.317 . . . . 1.0 110.952 -178.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -129.94 58.38 1.65 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.979 0.418 . . . . 1.0 110.733 -179.67 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.36 -22.12 38.7 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.048 -0.821 . . . . 1.0 111.048 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -81.47 130.45 35.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.884 0.374 . . . . 1.0 110.886 -178.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.446 ' O ' ' N ' ' B' ' 29' ' ' ILE . 67.7 m-85 -51.98 -71.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.307 -178.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -33.66 -34.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.337 0.495 . . . . 1.0 112.337 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' B' ' 26' ' ' TYR . 94.8 mtt180 -72.13 -34.76 68.8 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.994 -0.282 . . . . 1.0 111.709 -177.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' B' ' 26' ' ' TYR . 6.0 tt -59.18 -29.34 41.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.641 -0.423 . . . . 1.0 110.703 -177.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -78.92 -33.79 45.18 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.322 -177.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 73.3 mt -58.25 -47.26 87.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.761 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 53.7 mtm -70.36 -36.64 74.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.998 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -56.13 -32.55 64.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 24.0 tp -71.57 -46.25 59.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.378 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 31.1 mt -63.49 -5.79 4.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -84.49 -57.98 2.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.311 . . . . 1.0 110.369 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 15.3 t -59.65 -39.75 80.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.562 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 58.4 m -165.5 153.16 10.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.461 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.573 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 1.8 mp0 -67.4 162.83 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.509 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.06 134.57 10.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.5 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.6 p -81.4 -164.49 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.643 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.473 ' O ' HG22 ' B' ' 45' ' ' ILE . 96.3 t -77.58 -66.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.911 -179.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.55 -19.35 18.96 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.604 -0.598 . . . . 1.0 111.604 -178.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -79.39 -12.92 59.9 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.76 -0.259 . . . . 1.0 111.571 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.473 HG22 ' O ' ' B' ' 42' ' ' VAL . 9.1 tp -75.93 -22.58 15.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 120.734 -0.387 . . . . 1.0 110.694 -178.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.2 m -55.61 -8.86 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.86 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . 0.413 ' H ' ' C ' ' B' ' 45' ' ' ILE . 2.0 m-70 -86.11 -31.3 21.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.603 -179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 45.6 tp60 -95.91 -57.56 2.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.428 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' B' ' 51' ' ' LEU . 9.8 mp -97.16 50.63 1.09 Allowed 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 109.942 -0.392 . . . . 1.0 109.942 178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' B' ' 50' ' ' ASN . 1.5 m120 -46.71 87.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.895 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' B' ' 49' ' ' LEU . 16.2 tp -160.84 -68.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.408 -177.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.2 m -158.59 138.75 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.587 -0.279 . . . . 1.0 110.404 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.449 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 23.3 mp0 -77.27 -48.68 16.85 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.935 -0.306 . . . . 1.0 110.778 179.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.482 ' O ' ' CE1' ' B' ' 58' ' ' HIS . 11.6 t -49.43 -29.75 6.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.762 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.415 ' N ' HD22 ' B' ' 55' ' ' ASN . 1.5 m120 -66.87 -41.5 87.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.496 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 57.3 t -73.92 -37.17 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.598 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 53.0 p -58.83 -31.76 68.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.202 179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . 0.482 ' CE1' ' O ' ' B' ' 54' ' ' SER . 15.9 m170 -76.31 -63.13 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.397 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.52 -44.35 17.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.696 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 7.6 tp -58.15 -33.38 69.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 1.0 110.525 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -61.94 -30.93 71.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.67 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.565 HD22 ' N ' ' B' ' 62' ' ' LEU . 3.0 mm? -78.82 -25.8 44.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.043 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 25.5 tp -73.63 -33.58 64.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.261 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.433 ' O ' ' CD2' ' B' ' 67' ' ' HIS . 34.9 ttmt -71.7 -26.97 62.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.653 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 9.3 t -48.92 -52.22 25.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.056 178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.8 t -79.92 -4.5 7.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.093 178.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.449 ' C ' ' H ' ' B' ' 69' ' ' VAL . 42.1 m80 56.56 25.63 10.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.295 178.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.15 -10.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.966 -0.383 . . . . 1.0 109.966 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' B' ' 67' ' ' HIS . 16.2 m -146.66 173.29 2.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.534 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -136.87 150.03 48.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.134 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -133.43 159.66 39.68 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.371 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -135.42 146.98 48.82 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.376 -179.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 66.8 mtm-85 -90.96 135.47 33.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.23 178.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -140.78 92.89 2.54 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.888 0.375 . . . . 1.0 110.37 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.82 -76.39 1.75 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.249 -0.74 . . . . 1.0 111.249 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 22.4 tm0? -154.49 -18.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.739 0.304 . . . . 1.0 110.814 -178.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 67.3 m -87.32 133.69 33.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.843 0.354 . . . . 1.0 110.632 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.447 ' O ' ' CE2' ' B' ' 80' ' ' TYR . 44.6 mtt -92.68 96.18 10.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.492 179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.686 HD12 ' N ' ' B' ' 79' ' ' ILE . 1.5 mp -82.31 150.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 109.85 -0.426 . . . . 1.0 109.85 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.447 ' CE2' ' O ' ' B' ' 78' ' ' MET . 73.7 m-85 -130.01 146.11 51.68 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.205 179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 8.3 m -159.51 -169.53 2.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.576 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.601 HD22 ' N ' ' B' ' 82' ' ' LEU . 3.1 mm? -69.22 171.95 7.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.179 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' B' ' 84' ' ' ASP . 8.8 t70 -84.36 -89.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.684 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' B' ' 83' ' ' ASP . 45.6 t0 -147.32 42.62 1.1 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.39 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.564 HG22 ' N ' ' B' ' 86' ' ' HIS . 33.8 mt 66.09 167.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 O-C-N 123.406 0.441 . . . . 1.0 110.152 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.564 ' N ' HG22 ' B' ' 85' ' ' ILE . 4.2 m170 87.23 -41.53 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.793 0.683 . . . . 1.0 110.211 -177.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 66.7 t -73.17 -49.13 40.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.945 0.403 . . . . 1.0 110.46 178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.67 -56.73 14.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.049 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 1.5 t -48.12 -40.37 23.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.856 -178.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 37.3 ttm -49.28 -44.45 44.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 1.0 110.27 179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.23 -41.07 99.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.074 -0.512 . . . . 1.0 109.666 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.43 ' C ' ' N ' ' B' ' 94' ' ' ALA . 62.1 tttm -66.41 -62.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.877 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -45.5 -18.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.093 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.43 ' N ' ' C ' ' B' ' 92' ' ' LYS . . . -76.2 -43.84 40.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.55 -179.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 14.9 mm -72.41 -16.54 18.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.734 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -74.26 -46.44 41.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.706 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.4 ' O ' ' CD2' ' B' ' 97' ' ' HIS . 11.7 t60 -75.83 -26.33 57.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.582 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -43.57 -24.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.279 -0.418 . . . . 1.0 111.349 -178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -163.46 108.37 1.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.738 -0.385 . . . . 1.0 111.167 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -82.6 151.27 64.72 Favored Pre-proline 0 C--N 1.33 -0.264 0 N-CA-C 109.76 -0.459 . . . . 1.0 109.76 177.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -73.97 -170.12 0.66 Allowed 'Trans proline' 0 C--N 1.309 -1.504 0 C-N-CA 121.806 1.671 . . . . 1.0 111.839 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -71.23 174.69 6.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.612 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 117.954 -1.022 . . . . 1.0 110.338 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.466 ' C ' ' H ' ' A' ' 11' ' ' ASP . 56.8 t30 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 61.6 p -53.43 -5.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 1.0 111.3 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 9' ' ' ASN . 4.2 m-20 -58.82 -31.0 68.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 1.0 110.141 178.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 13' ' ' LEU . 13.8 t -70.75 -39.18 73.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.541 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' N ' HG23 ' A' ' 12' ' ' THR . 16.4 tp -56.27 -27.6 55.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.553 -179.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -69.06 -61.23 1.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.339 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -53.55 -21.08 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.281 0.475 . . . . 1.0 112.281 -175.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 24.2 t -48.36 -50.24 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.546 -0.462 . . . . 1.0 110.911 -178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 18' ' ' GLU . 11.3 t -59.78 -40.41 88.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.838 -178.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' N ' HG23 ' A' ' 17' ' ' THR . 10.2 mm-40 -55.44 -20.78 13.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.43 -0.35 . . . . 1.0 110.651 -179.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.4 mt -69.62 -70.44 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.363 -0.381 . . . . 1.0 111.012 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -44.14 -64.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.258 -177.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -42.51 -39.62 2.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.274 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.413 ' C ' HD12 ' A' ' 23' ' ' LEU . . . -63.46 -28.68 70.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.277 -178.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 23' ' ' LEU . 10.1 mp -100.57 22.39 11.88 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 110.204 -0.295 . . . . 1.0 110.204 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.18 -75.19 0.26 Allowed Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.281 -0.728 . . . . 1.0 111.281 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -44.8 138.72 3.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.898 0.38 . . . . 1.0 110.982 -178.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.408 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 49.1 p90 -68.14 -40.73 82.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.923 -179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' N ' ' CD2' ' A' ' 26' ' ' TYR . 64.0 t30 -45.71 -35.5 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.858 -179.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -66.46 -34.39 77.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.962 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.5 mm -69.25 -28.44 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.267 -0.424 . . . . 1.0 111.158 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.505 HH21 ' CD2' ' A' ' 49' ' ' LEU . 53.1 ttp180 -79.66 -38.55 33.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.744 0.306 . . . . 1.0 111.01 -178.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 88.2 mt -56.65 -26.68 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.033 -0.358 . . . . 1.0 110.033 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.636 ' SD ' HD23 ' A' ' 91' ' ' LEU . 34.8 ttm -81.99 -33.45 30.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.603 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.68 -45.96 87.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.186 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.466 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -68.74 -53.59 21.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.034 0.445 . . . . 1.0 110.41 -178.461 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.3 tp -62.72 -29.34 70.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.69 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.5 t -55.55 -69.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.57 -177.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.5 p -52.99 -29.13 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.577 -0.283 . . . . 1.0 111.312 -176.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.1 t -160.24 145.32 14.85 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.925 -0.31 . . . . 1.0 110.626 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -73.42 155.25 39.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.522 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.37 152.78 26.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 1.0 110.877 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 t -86.86 163.57 17.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.017 178.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.563 HG13 ' N ' ' A' ' 43' ' ' GLY . 11.8 p -47.46 -46.15 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 1.0 110.705 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.563 ' N ' HG13 ' A' ' 42' ' ' VAL . . . -64.86 -39.67 96.73 Favored Glycine 0 CA--C 1.527 0.793 0 C-N-CA 121.327 -0.463 . . . . 1.0 112.19 -176.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.527 ' O ' ' CE1' ' A' ' 47' ' ' HIS . 32.2 m170 -73.97 -36.59 64.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.973 0.387 . . . . 1.0 111.775 -176.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.3 tt -76.8 -13.74 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 C-N-CA 120.614 -0.434 . . . . 1.0 110.439 -178.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.9 m -56.02 -45.53 79.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 1.0 111.203 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 44' ' ' HIS . 4.4 p-80 -58.67 -11.16 2.81 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.711 -0.395 . . . . 1.0 110.769 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.508 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 0.4 OUTLIER -74.74 -42.73 57.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.117 179.75 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.505 ' CD2' HH21 ' A' ' 30' ' ' ARG . 31.9 mt -96.74 -30.78 13.01 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.333 179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 55.82 63.07 2.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.266 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.6 mt -143.22 -163.03 1.55 Allowed 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.118 -0.697 . . . . 1.0 109.118 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.5 t -71.69 126.76 30.54 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.919 -0.312 . . . . 1.0 110.237 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -52.65 -18.89 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.984 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.4 p -78.8 -20.13 50.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.405 -0.362 . . . . 1.0 110.745 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -72.97 -44.28 61.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.145 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.447 HG13 ' N ' ' A' ' 57' ' ' SER . 7.6 p -74.35 -38.95 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.016 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.447 ' N ' HG13 ' A' ' 56' ' ' VAL . 53.4 p -60.57 -39.72 89.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.992 -178.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -73.24 -38.24 66.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.862 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -73.09 -32.77 65.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 1.0 111.075 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.28 -35.0 78.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.576 -0.284 . . . . 1.0 110.822 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -67.4 -35.79 80.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.856 0.36 . . . . 1.0 110.627 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.6 tp -56.43 -32.7 65.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.427 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 15.0 mt -75.56 -25.31 56.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.407 -0.36 . . . . 1.0 111.044 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt -69.91 -12.37 61.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.71 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.2 m -52.03 -61.26 2.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.935 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.3 m -88.81 27.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.944 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 55.7 33.3 21.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.162 178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.1 tp -70.59 -16.21 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 1.0 110.656 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 70' ' ' LYS . 96.6 t -139.97 159.03 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.695 -178.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.5 ' N ' HG12 ' A' ' 69' ' ' VAL . 31.3 ttmt -131.25 140.19 49.79 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.851 179.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.75 128.19 49.59 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.913 -177.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.52 ' CE ' ' NE2' ' A' ' 74' ' ' GLN . 0.1 OUTLIER -104.46 122.04 44.69 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.277 -0.638 . . . . 1.0 109.277 177.853 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -85.03 123.51 30.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.887 0.375 . . . . 1.0 111.246 -177.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.52 ' NE2' ' CE ' ' A' ' 72' ' ' LYS . 41.4 mm-40 -128.71 108.12 10.22 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.246 179.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 58.85 -87.07 0.02 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.16 -0.776 . . . . 1.0 111.16 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -143.28 -10.5 0.74 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.666 0.27 . . . . 1.0 110.429 -179.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.7 t -87.54 131.71 34.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.295 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 41.3 mmm -92.59 89.02 6.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.096 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.682 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.8 mp -84.06 161.7 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 177.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.476 ' N ' HG22 ' A' ' 79' ' ' ILE . 75.3 m-85 -138.22 152.1 48.29 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.063 0.459 . . . . 1.0 110.62 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.492 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 5.7 t -151.7 180.0 7.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.061 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.492 ' N ' ' OG ' ' A' ' 81' ' ' SER . 23.6 mt -66.14 155.92 35.5 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.922 -0.311 . . . . 1.0 110.374 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -72.8 -38.42 67.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.399 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -159.23 -172.57 3.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 1.0 109.778 179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.5 tt -79.61 -29.9 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.754 0.311 . . . . 1.0 110.994 -179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -57.92 -15.84 10.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.983 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 15.9 t -70.27 -46.16 72.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 1.0 111.133 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.96 -15.0 62.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.061 -178.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.4 p -79.26 -65.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.426 -0.352 . . . . 1.0 110.986 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.442 ' CG ' ' N ' ' A' ' 91' ' ' LEU . 11.3 ptt? -50.11 -45.47 52.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.219 -178.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.636 HD23 ' SD ' ' A' ' 32' ' ' MET . 0.3 OUTLIER -57.38 -63.36 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.893 0.378 . . . . 1.0 110.64 -177.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -51.19 -62.49 1.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.145 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 93' ' ' GLN . 11.0 tm0? -51.28 -17.62 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.372 -177.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 91' ' ' LEU . . . -64.58 -63.38 1.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.792 0.329 . . . . 1.0 111.056 -178.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 27.4 pt -64.2 -16.98 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.134 -177.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -75.26 -39.52 59.75 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.595 -0.442 . . . . 1.0 110.221 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -52.03 -64.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.367 -0.533 . . . . 1.0 109.782 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -50.14 -73.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.41 . . . . 1.0 109.975 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -66.55 85.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 1.0 109.973 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.579 ' N ' ' CD ' ' A' ' 101' ' ' PRO . 56.8 t60 -75.93 -35.43 1.69 Allowed Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 112.591 0.589 . . . . 1.0 112.591 -177.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 100' ' ' HIS . 56.0 Cg_endo -87.89 82.01 1.02 Allowed 'Trans proline' 0 C--N 1.311 -1.439 0 C-N-CA 121.898 1.732 . . . . 1.0 112.515 -176.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -172.9 155.1 3.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.51 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.976 -1.011 . . . . 1.0 110.771 -179.674 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 11.1 m120 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.358 -0.608 . . . . 1.0 109.358 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 30.9 m -80.04 -30.48 39.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.652 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' B' ' 11' ' ' ASP . 21.9 p-10 -60.61 -50.78 72.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 1.0 111.183 -178.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.413 HG22 ' H ' ' B' ' 12' ' ' THR . 1.1 t -65.69 -23.49 66.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.832 -178.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.481 ' O ' HD13 ' B' ' 13' ' ' LEU . 0.2 OUTLIER -71.25 -48.81 48.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.403 -178.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -73.3 -9.87 59.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.649 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 19.0 tpt85 -83.56 -57.3 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.789 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 17.4 m -51.99 -12.99 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.361 -178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 11.1 m -85.51 -52.72 5.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 1.0 111.166 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.19 -26.46 62.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 1.0 111.615 -176.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.577 HG23 ' N ' ' B' ' 20' ' ' PHE . 13.6 tt -53.05 -46.96 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.777 -0.369 . . . . 1.0 110.724 -178.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.577 ' N ' HG23 ' B' ' 19' ' ' ILE . 64.8 m-85 -67.73 -52.97 31.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.903 0.382 . . . . 1.0 110.559 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -50.32 -15.57 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.99 -179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' B' ' 20' ' ' PHE . . . -82.52 -3.97 56.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.417 -178.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.464 ' O ' HD12 ' B' ' 23' ' ' LEU . 1.7 pp -151.42 50.92 0.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.011 0.434 . . . . 1.0 110.723 -178.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -76.39 -74.51 0.94 Allowed Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.183 -0.767 . . . . 1.0 111.183 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -42.9 146.96 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 1.0 111.175 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -79.66 -24.81 41.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.049 -0.523 . . . . 1.0 111.04 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -57.63 -43.09 84.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.491 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -69.79 -23.91 63.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.8 0.333 . . . . 1.0 110.769 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.4 mm -70.92 -30.86 43.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.812 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -67.06 -30.24 70.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.931 0.396 . . . . 1.0 110.43 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -72.72 -42.73 62.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.516 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 7.6 tpt -58.32 -38.88 78.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.699 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -62.73 -32.73 73.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.455 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.457 ' O ' HD13 ' B' ' 34' ' ' LEU . 0.2 OUTLIER -64.65 -54.44 31.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.136 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' B' ' 38' ' ' SER . 14.8 mt -44.07 -64.86 0.59 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.902 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.424 ' OG ' ' N ' ' B' ' 37' ' ' VAL . 19.0 p -41.79 -56.1 2.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.409 -178.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.424 ' N ' ' OG ' ' B' ' 36' ' ' SER . 98.2 t -49.38 -41.46 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.492 -179.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . 0.406 ' O ' ' O ' ' B' ' 35' ' ' LEU . 22.9 t -169.4 159.18 8.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.6 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' B' ' 39' ' ' GLU . 32.9 mp0 -80.07 147.16 31.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.206 179.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.41 145.06 18.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 1.0 110.764 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -81.05 171.72 14.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.195 178.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.573 HG13 ' N ' ' B' ' 43' ' ' GLY . 8.0 p -52.3 -49.06 43.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.782 -0.367 . . . . 1.0 110.679 -178.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.573 ' N ' HG13 ' B' ' 42' ' ' VAL . . . -63.06 -52.44 47.73 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.716 -0.554 . . . . 1.0 111.716 -177.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -52.24 -29.41 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.723 0.296 . . . . 1.0 111.185 -178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 90.2 mt -73.17 -24.42 20.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.406 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.435 ' O ' ' N ' ' B' ' 50' ' ' ASN . 19.5 p -53.52 -24.15 12.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.549 -0.296 . . . . 1.0 110.763 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -67.02 -11.74 57.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.997 0.427 . . . . 1.0 110.237 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.463 ' O ' ' ND2' ' B' ' 50' ' ' ASN . 7.2 tt0 -89.88 -56.15 3.35 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.398 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.574 ' N ' HD12 ' B' ' 49' ' ' LEU . 9.8 mp -78.02 -26.85 48.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.122 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.463 ' ND2' ' O ' ' B' ' 48' ' ' GLN . 1.2 m-80 56.59 28.67 14.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.681 -179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.447 ' CG ' ' H ' ' B' ' 52' ' ' SER . 5.4 tp -117.33 -138.61 0.36 Allowed 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.971 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.447 ' H ' ' CG ' ' B' ' 51' ' ' LEU . 13.6 t -85.99 153.3 22.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.611 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -82.25 -43.3 17.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.987 -179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 28.0 t -56.68 -31.21 64.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.826 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -57.43 -39.16 75.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.616 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 4.8 t -78.8 -30.98 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.684 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 9.8 t -62.37 -45.74 91.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.515 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -66.14 -61.99 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.535 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -48.91 -53.59 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.896 -179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 54.0 tp -49.67 -29.49 7.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.887 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -67.93 -32.27 72.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.856 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.572 HD12 ' N ' ' B' ' 62' ' ' LEU . 9.9 mp -68.34 -44.91 74.25 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.831 -0.348 . . . . 1.0 110.128 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.551 HD12 ' N ' ' B' ' 63' ' ' LEU . 10.0 mp -55.82 -24.49 36.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.182 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -71.33 -24.31 62.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.427 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.413 ' O ' ' CE1' ' B' ' 67' ' ' HIS . 43.4 t -46.91 -61.29 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.771 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 13.6 m -79.99 2.28 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.545 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.444 ' C ' ' N ' ' B' ' 69' ' ' VAL . 5.9 m-70 64.94 28.23 12.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.869 -0.605 . . . . 1.0 111.419 178.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 7.3 tp -48.09 -15.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 1.0 110.377 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.444 ' N ' ' C ' ' B' ' 67' ' ' HIS . 33.0 m -150.03 -175.86 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.693 -179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 23.6 ttpp -151.65 115.92 5.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.352 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . 0.489 ' HB2' ' CD2' ' B' ' 80' ' ' TYR . . . -102.6 146.53 28.03 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.57 -179.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -122.17 162.29 21.6 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.033 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.411 ' H ' ' HG2' ' B' ' 73' ' ' ARG . 35.7 ptt180 -96.37 139.2 32.84 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.874 0.369 . . . . 1.0 110.644 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -147.91 105.34 3.66 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.427 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.69 -91.13 0.32 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -148.42 15.36 1.0 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 1.0 110.592 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 47.5 m -121.72 130.07 53.18 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.353 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 38.9 mtp -86.92 96.3 10.19 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.217 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.6 tt -81.45 148.12 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.826 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.489 ' CD2' ' HB2' ' B' ' 71' ' ' ALA . 94.2 m-85 -127.01 140.88 51.98 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.555 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 51.1 m -156.5 -174.95 5.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.359 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 16.7 mt -70.97 167.2 19.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.729 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -77.87 -56.59 4.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.631 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.443 ' O ' HG23 ' B' ' 85' ' ' ILE . 6.2 m-20 -155.24 -80.41 0.08 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.915 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.443 HG23 ' O ' ' B' ' 84' ' ' ASP . 19.1 pt -156.78 -28.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.252 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -57.06 -40.94 77.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.745 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.566 HG13 ' N ' ' B' ' 88' ' ' ALA . 12.8 p -64.27 -45.49 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.548 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.566 ' N ' HG13 ' B' ' 87' ' ' VAL . . . -62.13 -25.54 67.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.542 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 18.3 m -73.67 -54.7 7.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.668 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 20.4 ttt -50.6 -55.2 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.781 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 15.8 tp -47.59 -59.93 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.298 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -58.9 -62.1 2.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.779 -179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -39.86 -36.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.575 -178.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.4 -69.05 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 1.0 110.741 -179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.6 tt -56.06 -19.05 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.08 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -73.46 -18.97 61.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.268 179.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . 0.467 ' C ' ' H ' ' B' ' 99' ' ' ASN . 74.6 t60 -71.69 -56.24 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.175 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.13 12.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.969 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' B' ' 99' ' ' ASN . 3.1 t30 -84.81 -5.34 59.33 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.464 -0.335 . . . . 1.0 110.704 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -172.7 58.97 0.24 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.453 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.414 ' C ' ' H ' ' B' ' 103' ' ' GLU . 79.5 Cg_endo -74.54 -95.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.548 2.165 . . . . 1.0 111.741 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -78.3 20.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.502 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . 0.414 ' H ' ' C ' ' B' ' 101' ' ' PRO . 7.3 tp10 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.965 -1.016 . . . . 1.0 110.624 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 t30 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.341 -0.614 . . . . 1.0 109.341 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.6 p -83.21 -21.39 33.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.349 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 11' ' ' ASP . 1.9 m-20 -81.22 -25.2 36.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.641 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.6 p -68.95 -61.11 1.93 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.582 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.525 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -53.4 -32.3 48.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 1.0 109.883 179.673 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -71.48 -24.98 62.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.286 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -90.22 -33.91 16.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.626 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.0 t -79.23 -23.59 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.274 -177.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.522 ' OG1' ' NZ ' ' A' ' 21' ' ' LYS . 9.3 t -77.54 -29.7 52.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.522 -0.308 . . . . 1.0 111.069 -178.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' ' 18' ' ' GLU . 7.3 pt-20 -77.69 -17.67 57.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.147 -178.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.7 mt -59.62 -51.03 77.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.24 -0.584 . . . . 1.0 110.146 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -64.18 -59.64 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.78 -179.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.522 ' NZ ' ' OG1' ' A' ' 17' ' ' THR . 58.4 mttp -47.54 -30.48 3.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.766 -179.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.61 5.98 2.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.104 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' GLY . 54.4 mt -105.17 -7.68 18.88 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.352 179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 23' ' ' LEU . . . -54.64 -163.81 0.01 OUTLIER Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.4 t70 61.29 95.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 1.0 110.589 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -49.89 -48.12 51.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.96 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -47.13 -34.01 5.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 1.0 111.099 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -77.44 -39.1 47.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.072 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.1 mt -57.06 -41.53 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.734 -178.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -68.67 -30.89 69.68 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.836 -0.346 . . . . 1.0 110.41 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 97.1 mt -75.38 -20.12 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 1.0 109.932 178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.498 ' SD ' ' O ' ' A' ' 32' ' ' MET . 0.0 OUTLIER -74.29 -36.82 63.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.903 178.287 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -60.72 -32.51 71.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.31 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.3 tp -65.39 -42.19 92.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.344 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.2 mt -75.39 -6.43 49.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.611 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -78.44 -51.23 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.704 -179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.4 p -77.72 -31.81 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.766 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 54.6 p -172.13 140.24 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.753 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -52.59 175.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.306 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.5 147.23 20.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.787 0.327 . . . . 1.0 110.72 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.6 t -86.43 -169.55 2.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.81 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.6 t -70.17 -63.49 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.856 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.71 -38.1 94.6 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.483 -0.647 . . . . 1.0 111.483 -177.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -48.26 -32.63 7.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.654 0.264 . . . . 1.0 111.236 -178.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 48' ' ' GLN . 95.9 mt -67.43 -41.58 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.995 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 50' ' ' ASN . 85.3 p -45.54 -17.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.279 -178.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' ILE . 64.0 t-80 -96.87 -25.88 15.28 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.781 0.324 . . . . 1.0 110.884 -179.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 45' ' ' ILE . 44.6 tp60 -66.12 -45.48 80.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.898 -177.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.492 ' O ' HD23 ' A' ' 49' ' ' LEU . 2.2 tt -166.72 -50.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.101 0.477 . . . . 1.0 110.148 -178.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 46' ' ' SER . 29.0 m120 -72.21 175.25 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.595 179.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -150.55 34.22 0.63 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.055 0.455 . . . . 1.0 109.926 -179.055 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -151.26 122.43 7.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.163 179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -72.57 -20.62 61.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.868 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.5 ' O ' ' CE1' ' A' ' 58' ' ' HIS . 48.6 m -77.57 -31.61 53.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.681 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -69.62 -45.89 67.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.845 -179.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 57' ' ' SER . 18.0 m -73.71 -37.07 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.896 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.419 ' N ' HG23 ' A' ' 56' ' ' VAL . 13.9 t -53.48 -38.14 63.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.976 0.417 . . . . 1.0 110.464 179.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.5 ' CE1' ' O ' ' A' ' 54' ' ' SER . 25.5 m170 -65.37 -51.8 57.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.549 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -50.77 -52.77 37.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.16 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.4 mp -49.21 -27.72 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.223 -178.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -68.76 -42.41 77.52 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.797 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.589 ' N ' HD12 ' A' ' 62' ' ' LEU . 9.4 mp -61.23 -29.66 69.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.705 -179.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.64 -32.01 60.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.477 -0.329 . . . . 1.0 111.013 -178.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -60.37 -37.78 81.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.327 . . . . 1.0 110.767 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.4 t -59.59 -57.67 11.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.605 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.436 HG22 ' H ' ' A' ' 66' ' ' VAL . 11.5 m -73.53 6.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.749 -179.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 46.79 18.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.705 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.43 ' H ' HG23 ' A' ' 66' ' ' VAL . 45.8 tp -57.96 -15.87 10.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.481 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.3 m -147.23 176.29 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.589 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -148.62 124.35 10.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.246 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.76 160.76 14.3 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.746 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -149.32 115.33 5.71 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.982 -0.554 . . . . 1.0 109.999 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -60.63 148.5 38.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.22 0.533 . . . . 1.0 111.322 -175.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -153.5 81.88 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.28 -0.873 . . . . 1.0 109.877 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.17 -169.83 40.42 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.43 -1.068 . . . . 1.0 110.43 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -56.19 -17.43 7.32 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.988 -0.285 . . . . 1.0 111.071 -179.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.4 m -98.37 141.49 31.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.772 0.32 . . . . 1.0 110.544 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -107.08 87.07 2.42 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.001 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.9 pt -91.22 159.78 2.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.571 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.406 ' O ' ' OG ' ' A' ' 81' ' ' SER . 36.5 p90 -146.45 -172.51 3.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.701 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 80' ' ' TYR . 17.5 m -167.94 -160.81 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.434 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 81' ' ' SER . 16.1 mt -59.28 -149.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.669 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -157.31 -18.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.798 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -171.34 168.95 6.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.324 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.0 pt -77.46 0.58 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.725 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -79.73 -30.26 40.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.771 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 10.4 t -66.93 -43.61 89.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.917 -178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.15 -39.43 82.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.011 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 80.4 p -75.78 -46.75 29.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.06 -178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 90' ' ' MET . 1.0 OUTLIER -46.2 -54.33 8.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.895 -178.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.5 tp -61.84 -46.07 91.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.034 -177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -61.43 -63.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.411 -0.358 . . . . 1.0 110.841 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -42.31 -28.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.423 -177.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.44 ' C ' ' N ' ' A' ' 96' ' ' HIS . . . -71.91 -66.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.866 -0.334 . . . . 1.0 110.759 -179.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.7 mm -50.6 -13.26 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.612 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.44 ' N ' ' C ' ' A' ' 94' ' ' ALA . 7.9 t60 -73.16 -56.98 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.726 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -60.84 -21.29 63.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.726 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -42.46 -52.84 4.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.3 -0.409 . . . . 1.0 111.171 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.415 ' OD1' ' O ' ' A' ' 99' ' ' ASN . 26.7 t-20 -159.15 16.05 0.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.494 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 47.12 71.21 1.67 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.648 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 103' ' ' GLU . 98.6 Cg_exo -44.8 170.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.73 2.287 . . . . 1.0 112.387 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 56.2 mttp -50.84 -15.61 0.31 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.627 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 101' ' ' PRO . 69.7 mt-10 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.968 -1.015 . . . . 1.0 110.59 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.438 ' C ' ' N ' ' B' ' 11' ' ' ASP . 14.3 m120 . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.251 -0.648 . . . . 1.0 109.251 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 42.6 p -49.3 -14.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.438 ' N ' ' C ' ' B' ' 9' ' ' ASN . 39.7 t0 -79.95 -61.62 1.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.329 179.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 51.7 p -51.62 -17.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.351 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.416 ' O ' HG22 ' B' ' 16' ' ' VAL . 17.0 tp -71.5 -57.56 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.351 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.43 ' O ' ' OG1' ' B' ' 17' ' ' THR . 5.7 tp10 -49.18 -17.63 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.764 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -75.29 -64.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.799 0.333 . . . . 1.0 111.035 -179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . 0.416 HG22 ' O ' ' B' ' 13' ' ' LEU . 13.3 m -49.92 -20.29 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.036 -177.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 14' ' ' GLU . 81.7 p -76.14 -29.56 57.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 1.0 110.451 179.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -70.74 -17.06 62.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.582 179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.7 -46.69 93.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.356 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -67.86 -62.79 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.804 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -46.89 -30.58 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.607 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.49 7.32 1.89 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.866 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tp -130.74 15.3 5.35 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.11 0.481 . . . . 1.0 109.795 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.641 ' N ' HH21 ' B' ' 28' ' ' ARG . . . -91.1 70.3 2.03 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' B' ' 24' ' ' GLY . 55.7 m-20 -161.33 112.09 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.016 0.436 . . . . 1.0 110.57 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -43.23 -60.8 1.54 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.806 -0.633 . . . . 1.0 111.479 -179.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.671 ' H ' HD22 ' B' ' 27' ' ' ASN . 0.6 OUTLIER -56.84 -30.36 63.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.734 -176.403 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.641 HH21 ' N ' ' B' ' 24' ' ' GLY . 25.7 ttp180 -72.02 -42.38 66.43 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.922 -0.311 . . . . 1.0 111.29 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 95.8 mt -58.17 -31.27 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.983 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.0 -34.47 57.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.032 0.444 . . . . 1.0 110.188 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.41 -32.3 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.36 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 6.8 mmt -74.33 -32.08 62.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.478 178.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -57.09 -35.6 69.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.465 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' B' ' 37' ' ' VAL . 13.6 tp -70.81 -51.88 23.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.419 -179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 49.7 mt -48.14 -23.07 0.75 Allowed 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.675 -0.41 . . . . 1.0 110.31 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.4 p -78.53 -38.11 41.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.281 178.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.425 ' N ' ' O ' ' B' ' 34' ' ' LEU . 55.4 t -82.65 -50.73 15.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.79 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 31.2 t -163.74 144.54 8.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.973 0.416 . . . . 1.0 111.251 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -66.58 165.98 13.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.661 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.528 ' O ' ' CZ ' ' B' ' 80' ' ' TYR . . . -156.07 156.01 33.61 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.567 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -94.82 178.07 5.7 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.88 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 99.0 t -59.66 -58.68 6.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.946 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -58.83 -37.11 89.88 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.266 -0.733 . . . . 1.0 111.266 -177.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -75.49 -42.82 51.98 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.154 0.428 . . . . 1.0 112.154 -176.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 3.5 tp -72.47 -16.32 18.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.404 -0.518 . . . . 1.0 110.546 -177.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.434 ' O ' ' O ' ' B' ' 50' ' ' ASN . 50.8 m -63.69 -66.69 0.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.867 -0.333 . . . . 1.0 111.122 -179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -55.43 -16.25 3.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.946 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -88.07 3.19 49.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.018 -178.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.47 -67.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.544 -0.462 . . . . 1.0 110.817 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.522 ' ND2' ' O ' ' B' ' 52' ' ' SER . 40.3 t30 -119.5 148.4 43.32 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.942 0.401 . . . . 1.0 110.838 -177.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.774 HD22 ' N ' ' B' ' 51' ' ' LEU . 1.2 mm? -80.88 -61.62 1.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.316 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.522 ' O ' ' ND2' ' B' ' 50' ' ' ASN . 31.2 t -59.27 131.18 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.844 -179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.504 ' CD ' ' H ' ' B' ' 53' ' ' GLN . 19.4 mp0 -80.64 -37.86 30.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.635 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 16.9 t -54.56 -28.68 47.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.963 -178.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 58.6 m-20 -73.48 -46.06 50.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.621 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.7 t -70.22 -40.1 77.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.602 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 5.3 t -52.68 -32.7 43.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.319 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . 0.406 ' O ' ' ND1' ' B' ' 58' ' ' HIS . 21.8 t-80 -74.71 -33.86 62.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.81 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -68.29 -58.91 3.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.863 -179.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 21.8 mt -50.06 -27.97 6.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.568 -0.287 . . . . 1.0 110.74 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -76.63 -47.11 23.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.833 -0.347 . . . . 1.0 110.505 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 61.1 tp -48.81 -46.53 41.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.103 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.3 -25.92 64.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.523 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 55.2 tttp -75.03 -10.2 59.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.018 178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' B' ' 66' ' ' VAL . 60.7 p -63.17 -61.33 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.888 -0.596 . . . . 1.0 111.074 -179.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.421 ' N ' ' OG ' ' B' ' 65' ' ' SER . 4.9 t -66.77 -71.64 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.911 -177.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.12 18.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.449 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 22.7 mt -103.14 149.55 24.52 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 110.023 -0.362 . . . . 1.0 110.023 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.612 ' H ' ' CG ' ' B' ' 83' ' ' ASP . 5.4 t 64.98 141.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.137 -177.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -135.15 174.83 10.17 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.121 -0.49 . . . . 1.0 109.895 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -157.05 116.86 3.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 1.0 110.96 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -98.27 150.94 21.0 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.315 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -81.61 118.55 22.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.002 0.429 . . . . 1.0 110.633 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -153.02 107.48 3.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.275 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 79.81 -166.38 50.43 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -77.39 30.4 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.716 0.293 . . . . 1.0 110.657 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.444 ' H ' ' C ' ' B' ' 75' ' ' GLY . 37.3 m -158.73 174.15 15.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.583 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 19.1 mmt -113.03 116.03 29.28 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.31 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 10.5 tp -87.05 152.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 110.136 -0.32 . . . . 1.0 110.136 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.528 ' CZ ' ' O ' ' B' ' 40' ' ' ALA . 23.1 p90 -142.97 172.32 12.85 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.716 0.293 . . . . 1.0 110.431 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . 0.404 ' OG ' ' N ' ' B' ' 82' ' ' LEU . 27.3 t -169.04 -161.16 0.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.973 0.416 . . . . 1.0 111.095 -178.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.404 ' N ' ' OG ' ' B' ' 81' ' ' SER . 17.6 tp -58.64 147.41 32.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.687 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . 0.612 ' CG ' ' H ' ' B' ' 69' ' ' VAL . 5.0 m-20 -63.95 -95.86 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.684 179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -100.72 -88.69 0.36 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.433 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 tt -174.77 -29.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.554 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 14.9 m80 -68.0 0.96 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.729 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 6.9 m -85.42 -33.27 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.226 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.52 -41.55 93.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.274 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 52.8 p -65.82 -36.5 83.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.312 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 3.6 mmt -67.69 -33.78 75.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.297 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.3 tp -63.88 -58.34 7.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.735 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' B' ' 93' ' ' GLN . 8.3 ptmm? -64.48 -54.29 34.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.77 -178.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' B' ' 92' ' ' LYS . 1.4 tm0? -43.88 -30.39 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.164 -178.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.21 -69.36 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 1.0 111.168 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 13.4 tt -53.91 -18.64 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.908 -178.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -76.82 -48.36 18.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.526 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -61.47 -11.4 10.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.597 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.68 -77.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.309 178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -84.54 68.99 10.52 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.49 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.585 ' N ' ' CD ' ' B' ' 101' ' ' PRO . 21.2 t60 -76.03 -35.0 1.56 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 1.0 112.246 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' B' ' 100' ' ' HIS . 47.0 Cg_endo -89.47 176.98 2.86 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.079 1.853 . . . . 1.0 112.466 -177.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' B' ' 103' ' ' GLU . 47.6 pttt -157.81 51.51 0.44 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.546 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' B' ' 102' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.066 -0.969 . . . . 1.0 110.314 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 11' ' ' ASP . 12.6 t -86.12 -37.24 18.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.742 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 12' ' ' THR . 44.0 p30 -71.13 -21.17 62.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.647 -179.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.482 ' N ' ' OD1' ' A' ' 11' ' ' ASP . 71.0 m -76.52 -58.17 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.532 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -44.83 -33.93 2.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.303 179.685 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 -70.04 -49.26 53.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.982 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 17' ' ' THR . 85.0 mtm180 -62.41 -58.1 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.41 -177.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 34.6 m -45.61 -12.63 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.417 . . . . 1.0 111.404 -178.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.521 ' N ' ' O ' ' A' ' 15' ' ' ARG . 10.8 m -88.25 -38.34 15.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.81 0.338 . . . . 1.0 110.854 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -76.9 -26.12 53.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.755 -176.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.476 HG23 ' N ' ' A' ' 20' ' ' PHE . 10.6 tp -60.74 -40.66 85.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.601 -0.44 . . . . 1.0 110.471 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.476 ' N ' HG23 ' A' ' 19' ' ' ILE . 70.5 m-85 -65.4 -63.66 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.455 179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -49.49 -11.87 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.076 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' A' ' 20' ' ' PHE . . . -54.42 -38.26 66.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.352 -0.386 . . . . 1.0 111.084 -178.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 23' ' ' LEU . 7.2 mp -70.48 -80.97 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 1.0 110.287 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.86 -116.5 4.26 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.406 -0.677 . . . . 1.0 111.406 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.506 ' CG ' HD21 ' A' ' 27' ' ' ASN . 18.8 p30 -59.3 163.77 3.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.03 0.443 . . . . 1.0 111.259 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -87.32 -23.34 24.67 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.81 -0.632 . . . . 1.0 111.945 -177.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.609 ' H ' HD22 ' A' ' 27' ' ' ASN . 0.2 OUTLIER -70.91 -41.13 71.64 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.869 -0.332 . . . . 1.0 111.77 -175.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.01 -48.23 71.85 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.814 -0.355 . . . . 1.0 110.954 -177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.4 tt -60.75 -19.37 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.824 -0.351 . . . . 1.0 110.538 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -70.69 -30.72 67.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.069 0.461 . . . . 1.0 109.947 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.0 mt -67.53 -29.24 44.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.054 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 22.7 mmt -69.82 -31.26 69.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.369 179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -58.17 -64.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.306 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.439 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -49.07 -54.63 15.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.158 0.504 . . . . 1.0 109.694 178.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 35' ' ' LEU . 0.2 OUTLIER -48.48 -47.71 38.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.365 179.498 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.8 t -43.77 -39.92 4.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.915 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 32.1 t -61.53 -63.53 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.45 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.3 t -148.76 152.74 37.11 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.779 -178.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -50.01 159.01 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.299 179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.427 ' O ' ' CZ ' ' A' ' 80' ' ' TYR . . . -157.23 143.54 17.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.787 -179.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.2 p -97.34 170.25 9.2 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.325 178.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.0 t -45.62 -49.18 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.62 -44.68 96.64 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 121.254 -0.498 . . . . 1.0 112.201 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.3 t60 -68.43 -36.63 79.33 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.385 0.513 . . . . 1.0 112.385 -174.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.5 pt -69.57 -23.6 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.286 -0.565 . . . . 1.0 110.64 -177.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 50' ' ' ASN . 10.1 t -49.97 -41.0 45.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.833 0.349 . . . . 1.0 110.665 179.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -53.76 -11.33 0.38 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.713 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.408 ' H ' ' C ' ' A' ' 46' ' ' SER . 7.9 tp-100 -79.94 -57.4 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.931 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.2 mt -107.48 -29.54 9.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.383 -0.371 . . . . 1.0 110.45 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 46' ' ' SER . 7.9 t-20 64.09 34.17 11.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.935 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.0 mt -97.49 -157.41 0.59 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.305 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.9 t -74.77 136.12 41.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.565 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -67.24 -18.11 65.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.685 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.1 t -79.86 -27.15 40.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.644 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -75.45 -44.29 45.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.885 -178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.427 HG23 ' N ' ' A' ' 57' ' ' SER . 23.0 m -68.37 -38.19 79.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.751 -178.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 56' ' ' VAL . 20.2 p -59.51 -65.65 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.572 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -41.58 -34.84 0.63 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.006 -0.543 . . . . 1.0 111.138 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -67.59 -52.58 36.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.713 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 tp -45.37 -30.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.692 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -71.37 -40.62 70.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.909 -179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.18 -43.12 96.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.904 -178.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.14 -24.43 65.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.477 -0.328 . . . . 1.0 110.912 -178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -67.52 -20.68 65.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.411 -0.359 . . . . 1.0 110.543 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 67' ' ' HIS . 75.7 m -63.31 -57.87 8.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.794 -179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.6 m -69.39 9.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.51 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.482 ' H ' ' C ' ' A' ' 65' ' ' SER . 1.4 m-70 54.37 18.84 2.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.679 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.7 tp -65.22 -13.42 58.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.108 0.48 . . . . 1.0 110.011 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.5 m -151.14 179.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.221 178.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.472 ' NZ ' ' CB ' ' A' ' 70' ' ' LYS . 8.8 mtmp? -143.79 174.01 11.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.147 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -154.75 159.79 40.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.617 -179.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -148.49 161.34 41.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.247 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 51.5 ttt85 -97.25 146.22 25.32 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.192 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.425 ' O ' ' O ' ' A' ' 75' ' ' GLY . 19.9 tt0 -150.44 77.91 1.31 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.4 179.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 76' ' ' GLN . . . 31.84 103.02 0.01 OUTLIER Glycine 0 CA--C 1.526 0.776 0 CA-C-N 115.635 -0.711 . . . . 1.0 112.823 177.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' A' ' 75' ' ' GLY . 24.3 tp60 88.02 -60.1 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 122.704 0.402 . . . . 1.0 111.29 176.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.1 p -115.42 150.51 36.29 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.874 0.368 . . . . 1.0 110.699 -178.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.3 ptt? -113.75 98.86 7.29 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.268 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.711 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.7 mp -78.24 162.14 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.159 179.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.519 ' N ' HG22 ' A' ' 79' ' ' ILE . 11.2 p90 -149.62 174.68 12.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.358 179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 m -162.3 -169.72 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.638 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.573 ' N ' HD12 ' A' ' 82' ' ' LEU . 9.2 mp -61.4 -106.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.354 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -159.05 -95.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.019 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -96.4 -75.23 0.54 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.188 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -178.16 -26.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.018 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -54.64 -62.29 1.75 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.019 -0.537 . . . . 1.0 111.462 -177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.5 m -45.38 -34.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 1.0 111.235 -176.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.55 -52.62 54.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 1.0 110.815 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.412 ' OG1' ' OE1' ' B' ' 93' ' ' GLN . 52.3 p -57.63 -39.95 78.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.89 -179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 39.5 ttm -45.64 -46.65 14.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.762 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.5 tp -57.56 -44.6 85.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.19 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.54 -61.27 2.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.274 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -44.93 -20.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.589 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.99 -64.26 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.714 -0.394 . . . . 1.0 110.968 -178.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.616 ' N ' HD12 ' A' ' 95' ' ' ILE . 1.6 mp -61.97 -5.92 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 109.633 -0.506 . . . . 1.0 109.633 -179.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -75.63 -47.48 26.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.516 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -61.14 -60.59 3.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.463 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.26 -31.55 6.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.627 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.526 ' O ' ' CD2' ' A' ' 100' ' ' HIS . 51.3 t30 -79.69 59.97 3.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.915 -179.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.526 ' CD2' ' O ' ' A' ' 99' ' ' ASN . 25.8 m170 -156.7 67.25 4.28 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.314 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -46.32 161.52 0.16 Allowed 'Trans proline' 0 C--N 1.307 -1.625 0 C-N-CA 122.639 2.226 . . . . 1.0 112.297 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -172.34 92.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.416 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.06 -0.972 . . . . 1.0 110.494 -179.937 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 63.8 p -52.9 -23.11 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.581 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -71.73 -63.73 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.704 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.0 t -61.66 -28.82 69.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.77 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 30.0 tp -52.73 -59.03 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.57 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -67.11 -19.64 65.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.418 -0.355 . . . . 1.0 111.244 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -65.85 -20.81 66.37 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.653 -0.419 . . . . 1.0 110.052 179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 95.7 t -67.06 -23.6 30.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.334 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 72.4 p -86.03 -31.52 21.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.621 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.03 -37.38 87.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.429 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.436 ' O ' ' HB3' ' B' ' 22' ' ' ALA . 20.2 pt -76.92 -32.42 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.205 178.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -70.1 -60.63 2.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.165 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -52.28 -21.85 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.509 179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' B' ' 19' ' ' ILE . . . -47.16 -27.47 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.993 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 36.9 mt -73.31 -72.14 0.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.613 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 63.22 -105.9 1.17 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.33 -0.708 . . . . 1.0 111.33 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -47.17 143.24 3.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 1.0 110.984 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.515 ' CE1' ' OD1' ' B' ' 27' ' ' ASN . 18.3 p90 -79.1 -27.59 42.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.682 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.515 ' OD1' ' CE1' ' B' ' 26' ' ' TYR . 5.2 m120 -56.22 -34.32 66.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.558 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -67.26 -24.25 65.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.696 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 44.6 mm -77.05 -29.21 17.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.899 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 67.7 mtp180 -67.24 -31.66 72.16 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.182 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 8.3 mm -65.27 -45.57 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.185 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 34.6 ttm -56.94 -39.86 75.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.733 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -59.32 -35.31 73.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.644 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 15.2 tp -72.86 -60.93 2.0 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.279 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 mt -50.02 -21.44 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.55 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.455 ' OG ' ' N ' ' B' ' 37' ' ' VAL . 14.0 p -68.36 -57.43 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.903 0.382 . . . . 1.0 110.4 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.455 ' N ' ' OG ' ' B' ' 36' ' ' SER . 19.8 t -55.8 -40.58 62.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.383 179.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 52.7 p -170.04 147.17 3.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.407 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.568 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 14.3 mp0 -62.53 164.59 7.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 1.0 110.638 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.13 142.48 17.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.418 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.503 ' OG ' ' CD2' ' B' ' 44' ' ' HIS . 62.4 p -83.93 -177.25 6.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.539 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.473 ' O ' HG22 ' B' ' 45' ' ' ILE . 96.1 t -63.46 -60.92 2.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.741 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.89 -25.31 9.39 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.472 -0.651 . . . . 1.0 111.472 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.503 ' CD2' ' OG ' ' B' ' 41' ' ' SER . 17.5 m170 -75.27 -11.62 60.1 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 121.066 -0.253 . . . . 1.0 111.192 -178.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . 0.473 HG22 ' O ' ' B' ' 42' ' ' VAL . 9.3 tp -70.47 -26.11 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.968 0.413 . . . . 1.0 110.846 -178.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -57.69 -17.38 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.13 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -78.98 -24.92 43.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.737 0.304 . . . . 1.0 110.751 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.5 ' NE2' ' N ' ' B' ' 48' ' ' GLN . 3.3 mp0 -88.52 -57.71 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.925 -178.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 15.0 mt -98.16 -47.78 5.35 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.252 -177.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 61.26 63.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.921 -0.399 . . . . 1.0 109.921 -176.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 17.4 tp -134.71 -70.91 0.49 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.595 -177.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 70.6 m -157.43 133.06 9.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.398 -0.364 . . . . 1.0 110.47 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -74.67 -41.19 60.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 1.0 110.629 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.7 m -57.7 -34.51 69.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.664 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -63.63 -43.4 96.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.463 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 85.2 t -70.81 -35.84 61.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.901 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 19.1 p -59.18 -34.83 72.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 1.0 110.551 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -78.98 -34.89 43.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.763 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -75.79 -51.11 13.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.93 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.529 HD13 ' O ' ' B' ' 60' ' ' LEU . 0.2 OUTLIER -51.28 -34.84 34.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.02 0.438 . . . . 1.0 110.04 -179.719 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -67.85 -35.57 78.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.911 179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 43.4 tp -64.09 -27.43 69.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.397 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 12.9 mt -79.33 -23.78 43.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.615 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -66.35 -31.84 72.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.543 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 89.5 p -51.6 -60.76 2.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.49 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.542 ' O ' HG22 ' B' ' 66' ' ' VAL . 2.6 p -67.2 0.31 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.254 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 41.8 m80 55.5 21.39 4.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.859 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.415 ' H ' HG13 ' B' ' 66' ' ' VAL . 37.0 tp -59.24 -13.04 6.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.175 0.512 . . . . 1.0 109.739 178.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.2 m -147.73 177.69 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.116 178.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -154.38 132.69 11.89 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.489 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.83 156.72 17.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.418 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -118.25 139.2 51.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.096 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . 0.407 ' H ' ' HG3' ' B' ' 73' ' ' ARG . 2.2 ppt_? -88.75 128.31 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.341 179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -152.67 88.58 1.35 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.255 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.13 -153.4 32.3 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.805 -0.918 . . . . 1.0 110.805 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -81.92 9.44 8.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.548 0.213 . . . . 1.0 110.906 -179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 53.0 m -129.45 150.12 50.94 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.924 0.392 . . . . 1.0 110.52 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' B' ' 78' ' ' MET . 0.0 OUTLIER -119.71 148.37 43.47 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.222 179.806 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 77.6 mt -124.28 147.66 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.11 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -118.53 150.05 40.29 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.623 -179.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 13.4 m -159.17 -171.38 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.281 179.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 22.0 mt -74.22 158.68 33.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.494 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -66.66 -49.4 66.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.622 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -157.29 -164.55 1.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.346 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 16.4 pt -86.99 9.86 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.802 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -81.06 -73.0 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.708 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.0 m -45.97 -21.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.013 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.49 -61.48 2.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.716 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 71.3 m -62.65 -24.48 67.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.768 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' B' ' 90' ' ' MET . 8.5 tmm? -64.2 -57.52 9.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.428 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 30.0 tp -49.59 -40.81 40.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.43 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -68.22 -60.84 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.823 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.412 ' OE1' ' OG1' ' A' ' 89' ' ' THR . 8.4 tt0 -49.47 -20.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.07 -177.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.37 -67.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.735 0.303 . . . . 1.0 110.811 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 11.5 tt -52.02 -15.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.338 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -74.27 -42.03 60.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.437 179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -65.54 -18.3 65.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.357 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.54 -72.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.494 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -76.28 102.2 5.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.344 179.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -160.91 58.8 1.05 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.534 -178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -74.88 148.43 35.88 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.593 2.196 . . . . 1.0 112.209 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -78.04 106.19 9.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.302 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.969 -1.015 . . . . 1.0 110.665 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.811 ' N ' ' HG1' ' A' ' 12' ' ' THR . 7.5 p30 . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.265 -0.643 . . . . 1.0 109.265 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.467 ' H ' ' CG ' ' A' ' 9' ' ' ASN . 64.0 p -78.31 -31.08 48.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.447 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -80.92 -18.49 46.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.45 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.811 ' HG1' ' N ' ' A' ' 9' ' ' ASN . 35.8 m -76.61 -67.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.676 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.473 HD12 ' N ' ' A' ' 13' ' ' LEU . 7.8 mp -50.4 -23.2 2.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 1.0 109.917 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -65.68 -55.73 15.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.403 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 20.5 ttm105 -66.61 -46.05 77.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.758 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 19' ' ' ILE . 66.0 t -49.8 -16.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.764 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.2 m -91.71 -33.15 15.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.548 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -81.21 -20.46 41.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.156 -178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.536 HG23 ' N ' ' A' ' 20' ' ' PHE . 18.2 tt -59.35 -45.82 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.841 -0.343 . . . . 1.0 110.446 -179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.536 ' N ' HG23 ' A' ' 19' ' ' ILE . 72.7 m-85 -70.22 -52.34 23.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.356 179.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.3 tttp -43.54 -35.24 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.289 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.57 -25.2 67.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.306 -0.407 . . . . 1.0 111.394 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.553 ' N ' HD12 ' A' ' 23' ' ' LEU . 7.0 mp -93.04 20.17 7.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.51 -0.314 . . . . 1.0 110.347 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -72.68 -55.47 6.6 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.955 -0.858 . . . . 1.0 110.955 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -46.71 109.63 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.923 0.392 . . . . 1.0 110.77 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -50.0 -42.22 48.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.186 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 24.1 p30 -67.02 -30.3 70.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.356 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.513 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 37.8 ttm180 -72.02 -44.64 63.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.455 -177.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 16.7 pt -67.53 -24.04 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.642 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.1 ttt85 -68.96 -29.17 67.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.668 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.6 mm -65.91 -66.45 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.767 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -43.87 -39.71 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 1.0 111.071 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -53.38 -48.61 68.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.656 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.0 tp -57.49 -49.09 77.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.18 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.568 HD12 ' N ' ' A' ' 35' ' ' LEU . 9.7 mp -63.23 -8.02 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.467 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.525 ' OG ' ' N ' ' A' ' 37' ' ' VAL . 6.5 p -74.33 -61.67 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.428 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.525 ' N ' ' OG ' ' A' ' 36' ' ' SER . 18.1 t -63.81 -40.94 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.392 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.1 m -159.34 134.57 8.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.19 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.567 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 3.8 mp0 -49.2 175.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.374 . . . . 1.0 110.693 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.3 137.4 12.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.363 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.425 ' O ' ' CD1' ' A' ' 45' ' ' ILE . 90.0 p -84.62 -162.51 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.63 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.1 t -80.66 -64.73 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.61 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.01 -44.45 95.88 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.172 -0.537 . . . . 1.0 111.832 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -48.32 -28.06 2.91 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 122.758 -0.26 . . . . 1.0 111.45 -177.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' GLN . 86.8 mt -75.65 -34.64 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.885 -0.326 . . . . 1.0 110.932 -178.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.4 t -44.43 -39.29 4.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.706 0.288 . . . . 1.0 111.111 -179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.543 ' N ' ' ND1' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -75.56 -19.85 59.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 1.0 110.919 -178.786 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 45' ' ' ILE . 86.3 mm-40 -77.74 -57.36 3.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.0 -179.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -86.79 -7.33 58.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.35 -0.387 . . . . 1.0 110.87 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.419 ' N ' ' OD1' ' A' ' 50' ' ' ASN . 1.7 m-20 50.59 79.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.213 -178.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 tp -172.32 -153.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.1 p -84.48 153.31 23.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.808 0.337 . . . . 1.0 110.293 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.625 ' H ' ' CD ' ' A' ' 53' ' ' GLN . 3.5 pm0 -82.31 -17.36 46.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.894 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.9 p -76.55 -25.58 54.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.633 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.434 ' O ' ' OE1' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -62.3 -44.11 97.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.886 -179.177 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.4 m -77.15 -33.25 20.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.731 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 p -54.27 -33.81 59.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.415 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 61' ' ' LYS . 38.3 m-70 -74.78 -54.13 7.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.823 -179.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.618 ' NE2' ' N ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -47.26 -42.33 20.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.219 -179.067 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 20.8 mt -72.87 -19.48 61.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.552 -0.294 . . . . 1.0 110.772 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' HIS . 78.2 tttt -68.8 -42.41 77.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 1.0 110.347 179.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 62' ' ' LEU . 1.4 tt -61.86 -55.12 33.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.202 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 49.7 mt -48.98 -34.58 13.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.741 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -58.88 -34.58 71.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.535 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.9 t -71.58 -52.02 20.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.536 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.0 t -67.36 -9.88 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.418 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.463 ' C ' ' N ' ' A' ' 69' ' ' VAL . 47.2 m-70 59.85 10.04 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.973 179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 38.8 tp -47.6 -17.06 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.98 0.419 . . . . 1.0 110.231 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.463 ' N ' ' C ' ' A' ' 67' ' ' HIS . 33.7 m -147.87 -178.93 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.377 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -130.76 174.02 10.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.209 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -156.47 159.34 38.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.332 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -137.08 147.04 45.84 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.387 -0.369 . . . . 1.0 110.381 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -90.88 133.6 35.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.492 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -149.33 102.6 3.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.186 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 77' ' ' SER . . . 70.46 -165.77 51.64 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.458 -1.057 . . . . 1.0 110.458 -178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -72.82 14.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 1.0 110.539 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.487 ' H ' ' C ' ' A' ' 75' ' ' GLY . 44.6 t -120.6 136.14 54.9 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.373 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.482 ' SD ' ' OH ' ' A' ' 80' ' ' TYR . 16.6 ttt -97.91 99.61 10.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.24 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 10.4 mm -81.5 152.45 4.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.063 0.459 . . . . 1.0 111.008 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.482 ' OH ' ' SD ' ' A' ' 78' ' ' MET . 70.7 m-85 -133.21 149.67 52.01 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.749 -0.659 . . . . 1.0 109.952 179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 m -159.56 -171.35 3.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.515 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.608 ' N ' HD12 ' A' ' 82' ' ' LEU . 8.6 mp -83.66 178.13 8.1 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.145 179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -79.14 -105.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.342 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -107.92 -65.85 1.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.012 0.434 . . . . 1.0 110.256 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.7 tt -170.01 -24.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.573 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -49.4 -34.08 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.602 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 88' ' ' ALA . 33.6 m -77.1 -40.19 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.752 -179.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 87' ' ' VAL . . . -59.06 -61.51 2.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.649 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 34.3 m -47.84 -38.3 15.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.794 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 17.1 ttt -55.54 -42.63 74.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.746 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.5 tp -60.75 -51.3 69.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.436 -179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -60.78 -61.37 2.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.815 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' B' ' 86' ' ' HIS . 45.0 tt0 -39.61 -33.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 1.0 111.701 -178.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.35 -66.83 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.319 . . . . 1.0 111.076 -178.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 17.6 mm -54.83 -15.32 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.755 -178.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -76.32 -38.49 55.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.865 -179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.515 ' O ' ' NE2' ' A' ' 100' ' ' HIS . 63.7 t60 -80.96 -20.13 42.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.9 -179.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.33 -70.69 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.826 -179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.511 ' O ' ' CG ' ' A' ' 100' ' ' HIS . 5.6 m120 -73.96 150.44 40.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.056 -178.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.515 ' NE2' ' O ' ' A' ' 97' ' ' HIS . 81.8 m-70 -160.42 67.3 2.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.413 179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -46.55 -69.95 0.07 OUTLIER 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.829 2.352 . . . . 1.0 112.654 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 62.3 tttm 51.11 94.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.541 -178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 117.968 -1.015 . . . . 1.0 110.541 179.788 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.441 ' C ' ' N ' ' B' ' 11' ' ' ASP . 17.6 t-20 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.46 -0.571 . . . . 1.0 109.46 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 31.6 m -47.48 -16.71 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.593 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' B' ' 9' ' ' ASN . 5.2 m-20 -78.18 -39.38 40.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.511 179.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -61.8 -34.37 75.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.568 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . 0.567 ' N ' HD12 ' B' ' 13' ' ' LEU . 7.0 mp -70.8 -25.28 62.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.07 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -76.39 -37.5 57.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.722 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . 0.482 HH22 HD21 ' A' ' 99' ' ' ASN . 56.8 mtm180 -67.84 -57.04 6.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.914 -179.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 29.5 m -46.28 -35.17 2.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.706 -179.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 15.0 m -62.74 -39.19 93.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.755 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -63.09 -30.35 71.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.725 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 mm -71.09 -31.26 44.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.059 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -80.94 -65.88 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.531 -0.304 . . . . 1.0 111.29 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -48.03 -25.76 1.53 Allowed 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.705 -0.398 . . . . 1.0 110.807 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.24 -28.6 69.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.935 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 mt -80.68 0.09 35.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.616 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.44 179.84 0.05 OUTLIER Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.85 121.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.84 0.352 . . . . 1.0 110.579 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -67.81 -11.17 57.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.805 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -70.62 -43.54 69.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.939 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -73.04 -22.58 60.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.948 -178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 5.9 mm -73.27 -36.64 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.986 -178.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 78.2 mtm180 -77.05 -34.61 57.18 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.905 -0.318 . . . . 1.0 110.953 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.38 -25.71 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.301 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . . . . . . . . . 30.6 tpp -74.97 -30.09 61.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.504 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -59.79 -35.46 74.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.487 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.469 ' CD2' ' N ' ' B' ' 34' ' ' LEU . 3.4 mm? -67.0 -55.04 16.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.324 179.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.74 -13.49 6.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.764 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' B' ' 37' ' ' VAL . 11.8 p -81.64 -59.49 2.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.857 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.485 ' N ' ' OG ' ' B' ' 36' ' ' SER . 32.1 m -67.18 -38.49 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.031 -178.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . 0.423 ' N ' HG23 ' B' ' 37' ' ' VAL . 28.1 t -169.45 147.73 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.863 -179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.65 164.31 23.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.614 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -156.2 153.37 29.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.439 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.41 ' OG ' ' CG ' ' B' ' 44' ' ' HIS . 87.8 p -93.18 169.61 10.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.355 179.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 93.6 t -56.19 -55.55 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.965 0.412 . . . . 1.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.1 -37.48 92.89 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.731 -0.747 . . . . 1.0 111.288 -178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.41 ' CG ' ' OG ' ' B' ' 41' ' ' SER . 0.5 OUTLIER -72.94 -39.35 66.29 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.329 0.492 . . . . 1.0 112.329 -175.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 20.9 tt -76.48 -16.06 14.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.469 -0.492 . . . . 1.0 110.968 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.406 ' O ' ' N ' ' B' ' 50' ' ' ASN . 91.0 p -60.48 -28.0 68.01 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.701 -0.4 . . . . 1.0 110.497 179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -70.28 -13.5 62.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.482 179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -89.56 -54.1 4.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.358 179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.593 HD22 ' N ' ' B' ' 49' ' ' LEU . 3.4 mm? -77.34 -37.29 52.72 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 110.043 -0.355 . . . . 1.0 110.043 178.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' B' ' 46' ' ' SER . 44.9 t-20 56.61 67.02 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.385 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' B' ' 52' ' ' SER . 15.3 tp -174.15 107.5 0.12 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.336 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.43 ' C ' ' O ' ' B' ' 51' ' ' LEU . 41.8 t 5.61 112.71 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 O-C-N 124.729 1.268 . . . . 1.0 113.934 -177.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -38.76 -38.82 0.45 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.657 -0.702 . . . . 1.0 111.641 -178.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 17.3 t -44.08 -32.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.924 -178.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -68.11 -42.83 79.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.843 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 89.8 t -74.31 -40.6 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.969 -178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 18.7 m -49.25 -35.03 16.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.951 0.405 . . . . 1.0 110.386 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -74.77 -58.15 3.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.875 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -42.4 -57.57 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.386 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.507 HD12 ' N ' ' B' ' 60' ' ' LEU . 7.6 mp -59.74 -22.91 62.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.931 -178.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt -68.75 -40.76 79.66 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.65 -0.42 . . . . 1.0 110.69 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.547 HD12 ' N ' ' B' ' 62' ' ' LEU . 9.9 mp -64.34 -48.11 76.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.486 -0.324 . . . . 1.0 110.196 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 16.1 mt -56.36 -35.55 67.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.556 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 52.5 tttm -55.07 -41.06 71.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.759 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 25.1 p -63.22 -51.89 64.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.601 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 3.6 t -66.73 -5.84 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.482 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 27.0 m80 57.37 13.01 1.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.799 179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.469 HD13 ' O ' ' B' ' 68' ' ' LEU . 0.2 OUTLIER -56.68 -15.45 4.53 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.459 -0.571 . . . . 1.0 109.459 179.739 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 28.4 m -153.11 -173.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.893 178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -155.95 174.79 14.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.969 0.414 . . . . 1.0 110.854 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -147.55 169.48 19.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.056 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -148.88 160.28 43.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.917 0.389 . . . . 1.0 110.915 -178.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -91.41 138.46 31.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.894 -0.594 . . . . 1.0 109.646 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -152.91 89.2 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 1.0 110.689 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' B' ' 77' ' ' SER . . . 69.95 56.6 7.92 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.047 -0.821 . . . . 1.0 111.047 179.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 54.26 7.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.311 . . . . 1.0 110.628 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . 0.474 ' H ' ' C ' ' B' ' 75' ' ' GLY . 8.5 t -113.68 109.61 18.86 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.428 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.33 137.99 32.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.409 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 24.8 pt -138.83 160.78 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.077 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -118.11 147.85 42.89 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.918 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 56.5 m -153.41 -177.97 6.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.059 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.416 ' C ' HD12 ' B' ' 82' ' ' LEU . 0.3 OUTLIER -81.1 179.39 7.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.84 0.352 . . . . 1.0 110.507 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -82.6 -69.24 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.179 -178.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -146.03 -71.54 0.25 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.976 -177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 13.7 pt -155.25 -35.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.451 -0.34 . . . . 1.0 110.405 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.515 ' O ' ' NE2' ' A' ' 93' ' ' GLN . 14.7 m170 -47.82 -47.04 31.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.619 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.46 -46.44 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.649 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.93 -46.43 89.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.866 -179.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 8.6 m -62.36 -31.3 71.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.571 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . . . . . . . . . 55.1 ttm -61.41 -31.28 71.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.553 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.36 -46.45 76.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.336 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.497 ' N ' ' CD ' ' B' ' 92' ' ' LYS . 3.3 mptp? -72.5 -62.57 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.396 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -37.35 -35.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.752 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.77 -66.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.66 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 19.8 mm -59.74 -10.86 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.58 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -76.43 -47.16 24.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.935 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -77.73 -12.39 59.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.78 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -47.15 -77.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.518 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -79.96 142.36 35.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.233 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 53.3 t60 -162.03 61.65 1.28 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.77 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -77.93 -175.54 2.75 Favored 'Trans proline' 0 C--N 1.306 -1.668 0 C-N-CA 122.671 2.248 . . . . 1.0 111.92 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -162.17 -41.41 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.56 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 . . . . . 0 C--O 1.219 -0.553 0 CA-C-O 118.098 -0.953 . . . . 1.0 110.497 -179.933 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 9' ' ' ASN . 8.9 p-10 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.1 m -45.44 -24.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.864 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.18 -36.39 77.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.993 0.425 . . . . 1.0 110.439 179.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 14' ' ' GLU . 70.2 p -72.55 -54.6 8.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.561 . . . . 1.0 110.605 -179.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.5 tp -39.98 -26.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.084 -179.074 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 12' ' ' THR . 51.5 mt-10 -80.39 -47.17 14.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.56 179.177 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 12' ' ' THR . 49.8 mtm180 -73.89 -21.36 60.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.037 -178.566 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.452 ' O ' HG22 ' A' ' 19' ' ' ILE . 76.8 t -71.87 -28.59 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.903 -178.785 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 17' ' ' THR . 2.2 t -91.48 -31.31 16.02 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.667 0.27 . . . . 1.0 110.957 -179.549 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -71.53 -15.44 62.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.495 -0.32 . . . . 1.0 111.024 -178.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 20' ' ' PHE . 13.5 tt -68.42 -41.98 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.909 0.385 . . . . 1.0 110.619 -179.214 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.455 ' N ' HG23 ' A' ' 19' ' ' ILE . 45.0 m-85 -74.6 -55.61 5.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.03 -178.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -46.09 -40.64 11.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.036 -178.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.82 -21.48 4.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.852 -178.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -95.83 13.53 26.39 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.868 -179.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.27 70.97 1.81 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.082 -0.807 . . . . 1.0 111.082 -179.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -165.82 107.64 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.752 0.31 . . . . 1.0 110.26 179.24 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CD2' ' N ' ' A' ' 27' ' ' ASN . 27.4 p90 -43.63 -44.93 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 1.0 111.073 -179.266 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.537 ' N ' ' CD2' ' A' ' 26' ' ' TYR . 3.9 t-20 -52.24 -32.58 37.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.953 -179.392 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.43 ' HE ' ' NE2' ' A' ' 59' ' ' GLN . 12.3 tpp85 -75.79 -52.05 11.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.401 -177.556 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.593 HD12 ' N ' ' A' ' 29' ' ' ILE . 1.9 mp -46.2 -40.35 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.895 -0.322 . . . . 1.0 110.501 -177.199 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.523 ' O ' ' NE2' ' A' ' 48' ' ' GLN . 26.9 ttm105 -72.33 -33.11 67.1 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.717 -0.393 . . . . 1.0 111.083 -177.769 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.9 mt -72.65 -39.14 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.808 -0.357 . . . . 1.0 110.368 178.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.461 ' SD ' HD13 ' A' ' 91' ' ' LEU . 9.6 ttt -64.34 -39.06 93.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.701 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.71 -33.98 68.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.993 0.425 . . . . 1.0 110.354 179.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' C ' HD23 ' A' ' 34' ' ' LEU . 2.2 tt -67.7 -65.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.369 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.7 mt -47.36 -16.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.73 -178.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 34' ' ' LEU . 5.5 p -69.88 -50.67 40.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.356 . . . . 1.0 110.187 178.906 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.1 t -66.31 -61.58 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.474 179.109 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.6 m -147.0 154.14 40.88 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.827 -178.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.571 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 13.7 mp0 -62.48 168.26 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.702 -179.36 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.12 144.6 18.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.536 179.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 m -81.41 168.71 18.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.254 178.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.2 t -54.76 -56.81 8.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.41 -0.359 . . . . 1.0 110.794 -179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.29 -34.42 87.96 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.698 -0.561 . . . . 1.0 111.698 -177.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' O ' ' ND1' ' A' ' 47' ' ' HIS . 7.1 t-80 -59.44 -26.88 65.57 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.749 -0.381 . . . . 1.0 110.819 -178.181 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.4 mt -74.33 -23.11 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.884 -179.055 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 50' ' ' ASN . 63.6 m -56.63 -11.84 1.53 Allowed 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.925 -0.31 . . . . 1.0 111.306 -178.071 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.586 ' ND1' ' N ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -92.77 -17.29 24.35 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.829 0.347 . . . . 1.0 110.785 -178.865 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.586 ' N ' ' ND1' ' A' ' 47' ' ' HIS . 59.5 tt0 -72.67 -56.0 5.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.03 -178.019 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.445 HD23 HD22 ' A' ' 27' ' ' ASN . 33.2 tp -161.28 -33.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.407 -178.77 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 46' ' ' SER . 4.3 m120 -83.17 168.09 17.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.168 179.012 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.637 ' H ' HD23 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -150.63 32.08 0.64 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.098 0.475 . . . . 1.0 110.983 -177.748 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.8 t -149.2 97.59 2.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.513 . . . . 1.0 110.346 177.413 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -50.37 -22.04 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.137 -178.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -80.29 -37.64 32.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.107 -178.592 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -68.9 -41.72 77.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 1.0 111.246 -177.796 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.3 m -72.78 -31.12 35.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.909 -0.316 . . . . 1.0 110.8 -178.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 72.4 m -58.51 -66.2 0.53 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.887 0.375 . . . . 1.0 110.437 179.211 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.415 ' ND1' ' N ' ' A' ' 58' ' ' HIS . 2.5 m-70 -45.59 -35.19 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.43 ' NE2' ' HE ' ' A' ' 28' ' ' ARG . 41.3 tt0 -66.15 -63.29 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.709 -179.168 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.2 mt -48.67 -24.93 1.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.693 -179.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -70.24 -38.02 75.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.686 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.3 tp -61.63 -32.94 73.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.163 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.4 mp -73.41 -24.88 60.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.264 179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 ttmt -62.06 -34.39 76.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.55 -179.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.1 t -69.13 -31.14 69.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.505 179.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.9 t -78.87 3.42 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 7.7 m80 67.49 10.45 7.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.466 178.005 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.431 ' O ' ' OD2' ' A' ' 83' ' ' ASP . 66.8 mt -75.93 -112.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.845 -0.342 . . . . 1.0 110.431 179.459 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.422 ' H ' HG13 ' A' ' 69' ' ' VAL . 7.9 m -46.56 164.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.826 0.346 . . . . 1.0 110.898 -179.107 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -151.77 142.07 22.42 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.008 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.85 141.07 36.28 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.923 0.392 . . . . 1.0 110.851 -178.278 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -102.28 129.4 48.69 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.186 178.296 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -82.23 114.39 20.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.851 -179.655 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 76' ' ' GLN . 92.8 mt-30 -122.75 134.85 54.43 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.182 179.319 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.69 70.61 0.02 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.178 -0.769 . . . . 1.0 111.178 -179.309 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 74' ' ' GLN . 9.2 pt20 174.68 -57.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 109.492 -0.559 . . . . 1.0 109.492 177.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.9 t -154.26 179.46 8.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.799 -179.425 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 10.2 ptt? -114.2 144.64 42.87 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.145 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.0 pt -138.94 161.84 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.234 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -122.83 156.5 34.43 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.181 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.426 ' OG ' ' N ' ' A' ' 82' ' ' LEU . 42.3 t -158.97 -166.95 1.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.503 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.426 ' N ' ' OG ' ' A' ' 81' ' ' SER . 20.6 mt -78.99 162.14 26.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.797 -179.484 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 68' ' ' LEU . 1.2 m-20 -79.68 -63.22 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.575 179.858 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.497 ' CG ' ' H ' ' A' ' 85' ' ' ILE . 19.7 t0 -165.22 -165.65 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.2 -179.384 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.497 ' H ' ' CG ' ' A' ' 84' ' ' ASP . 26.8 pt -76.83 26.5 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.731 0.3 . . . . 1.0 110.931 -179.255 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.436 ' H ' ' C ' ' A' ' 84' ' ' ASP . 11.4 m-70 -111.83 -36.76 5.33 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.863 0.363 . . . . 1.0 110.415 -179.665 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 88' ' ' ALA . 14.9 p -86.54 -36.11 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.802 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.428 ' N ' HG13 ' A' ' 87' ' ' VAL . . . -63.11 -38.57 91.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.857 -178.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.5 p -76.53 -33.49 58.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.696 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' MET . . . . . . . . . . . . . 42.9 ttp -69.15 -35.62 76.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.873 -178.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.461 HD13 ' SD ' ' A' ' 32' ' ' MET . 54.8 tp -64.72 -52.45 57.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.3 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -66.96 -57.0 7.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.831 -179.22 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -43.42 -27.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.05 -178.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.45 -66.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 1.0 110.681 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 26.1 mt -57.23 -27.75 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.396 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -55.88 -51.18 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.485 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.433 ' O ' ' NE2' ' A' ' 100' ' ' HIS . 73.5 t60 -51.76 -59.82 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.559 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.72 -56.75 4.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.691 -179.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.582 ' ND2' ' H ' ' A' ' 100' ' ' HIS . 3.0 t-20 -73.1 161.03 31.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.711 -179.505 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.582 ' H ' ' ND2' ' A' ' 99' ' ' ASN . 90.2 m-70 -155.1 72.18 5.71 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.493 -179.367 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -84.16 137.46 7.28 Favored 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.752 2.301 . . . . 1.0 112.302 -178.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -150.91 138.57 19.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.361 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.067 -0.968 . . . . 1.0 110.365 -179.857 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m120 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.403 -0.591 . . . . 1.0 109.403 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 75.4 p -84.82 -25.89 27.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.536 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -66.44 -35.64 80.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.443 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.5 p -76.09 -46.0 31.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.816 -179.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 18.0 tp -52.79 -16.94 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.365 -179.19 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.21 -44.77 12.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.332 177.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.53 -49.69 76.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.294 -178.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 15.1 m -47.11 -20.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.968 -177.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 8.6 p -91.31 -39.0 12.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.794 0.331 . . . . 1.0 110.841 179.536 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -68.53 -22.65 64.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.669 -176.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 19.0 pt -73.1 -29.25 28.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.612 -0.435 . . . . 1.0 110.91 -178.621 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -76.26 -63.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.324 . . . . 1.0 110.851 -179.672 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -49.74 -23.67 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.875 -179.205 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.3 -31.1 42.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.235 -178.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.428 ' C ' HD12 ' B' ' 23' ' ' LEU . 1.7 pp -119.06 39.13 3.62 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.71 0.29 . . . . 1.0 110.937 -178.636 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.49 -72.32 0.78 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.124 -0.79 . . . . 1.0 111.124 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -45.27 140.84 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 1.0 110.825 -179.351 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -66.19 -11.03 47.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.88 -178.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -84.08 -44.21 14.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 1.0 111.152 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.405 ' HA ' ' HE ' ' B' ' 28' ' ' ARG . 0.0 OUTLIER -69.59 -29.86 67.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.593 -178.306 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 14.0 tt -79.73 -27.73 12.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.902 -0.319 . . . . 1.0 111.108 -178.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -71.15 -32.9 69.52 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 121.06 -0.256 . . . . 1.0 111.022 -178.431 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 19.3 pt -74.76 -29.76 23.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.762 -0.375 . . . . 1.0 110.062 179.252 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' MET . . . . . 0.445 ' SD ' ' C ' ' B' ' 32' ' ' MET . 0.6 OUTLIER -71.8 -40.24 69.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.293 179.041 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -58.48 -35.16 71.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.806 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 28.7 tp -66.22 -41.88 89.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.475 -179.241 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 36.5 mt -69.15 -9.45 52.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.823 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 9.1 m -80.47 -42.43 22.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.356 . . . . 1.0 110.247 179.096 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -81.39 -37.01 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.716 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 74.5 m -168.54 152.25 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.788 -179.559 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -70.65 161.58 30.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.785 -179.905 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -157.19 147.38 20.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.634 -179.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 39.4 m -82.06 165.95 20.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.526 179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 46.2 t -54.28 -55.59 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.915 -179.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.58 -26.9 67.22 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.057 -0.817 . . . . 1.0 111.057 -179.11 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' HIS . . . . . 0.431 ' ND1' ' O ' ' B' ' 44' ' ' HIS . 62.1 t-80 -72.99 -20.58 61.0 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.057 -0.257 . . . . 1.0 111.053 -178.802 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 93.8 mt -84.69 -27.87 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.6 0.238 . . . . 1.0 110.688 -179.645 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.497 ' O ' ' N ' ' B' ' 50' ' ' ASN . 93.5 p -48.22 -44.36 33.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 1.0 110.864 -179.008 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -57.88 -15.15 7.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.875 -179.147 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -84.0 -49.8 8.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.59 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 71.9 mt -137.29 49.19 2.02 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.499 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' B' ' 46' ' ' SER . 64.1 t30 39.81 -123.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.644 177.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mp 48.36 -168.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.651 -0.499 . . . . 1.0 109.651 -178.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 63.7 m -151.75 176.23 11.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.01 0.433 . . . . 1.0 111.054 -178.284 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.41 ' O ' ' OG ' ' B' ' 57' ' ' SER . 9.9 tt0 -46.87 -37.09 8.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.604 -0.726 . . . . 1.0 111.3 -178.687 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.0 p -54.86 -54.42 42.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 1.0 111.035 -178.609 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -75.82 -40.15 55.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.086 -0.506 . . . . 1.0 111.141 -178.262 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 87.9 t -69.79 -42.18 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 1.0 111.363 -177.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' B' ' 53' ' ' GLN . 89.9 p -61.68 -29.89 70.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 1.0 110.594 -179.403 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -43.65 32.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.252 179.196 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.25 -47.8 80.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.43 179.038 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.523 HD13 ' O ' ' B' ' 60' ' ' LEU . 0.2 OUTLIER -54.9 -35.47 64.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.327 -179.724 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -58.86 -31.98 69.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 19.0 mt -69.98 -44.3 69.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.822 -179.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.538 HD12 ' N ' ' B' ' 63' ' ' LEU . 7.7 mp -61.48 -35.45 77.68 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.103 -0.332 . . . . 1.0 110.103 179.845 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -55.44 -46.04 76.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.578 179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.3 t -53.0 -47.94 67.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.604 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.439 HG23 ' H ' ' B' ' 66' ' ' VAL . 3.3 t -62.22 -6.12 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.332 179.685 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . 0.493 ' O ' ' ND1' ' B' ' 67' ' ' HIS . 56.5 t-80 61.67 14.7 6.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.294 -179.73 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 tp -79.11 -13.46 59.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.538 -179.276 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.523 HG12 ' N ' ' B' ' 70' ' ' LYS . 56.1 t -141.9 159.94 20.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 120.883 0.373 . . . . 1.0 110.75 -178.816 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.523 ' N ' HG12 ' B' ' 69' ' ' VAL . 87.2 tttt -138.51 152.91 48.67 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.123 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.71 119.74 39.36 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.865 0.364 . . . . 1.0 110.683 -178.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 72' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -97.51 119.89 36.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.311 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 73' ' ' ARG . . . . . . . . . . . . . 63.8 mtt85 -80.0 110.88 15.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.552 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 74' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -137.33 93.18 2.78 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.118 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.43 -155.57 53.26 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.519 -1.032 . . . . 1.0 110.519 -178.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -73.42 -8.18 54.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.867 0.365 . . . . 1.0 110.631 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 90.3 p -97.37 133.84 41.44 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.764 -179.588 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 78' ' ' MET . . . . . . . . . . . . . 75.4 mtp -97.94 91.04 5.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.258 178.831 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 44.7 mt -82.54 145.05 9.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.986 0.422 . . . . 1.0 110.888 -178.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -120.47 153.78 36.15 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.01 178.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 13.2 m -161.15 -166.54 1.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.703 -179.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 22.2 mt -78.55 166.06 23.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.518 -179.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 83' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.42 -42.04 17.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.981 -179.42 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.478 ' O ' HG23 ' B' ' 85' ' ' ILE . 52.4 m-20 -158.31 -81.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.774 0.321 . . . . 1.0 111.538 -178.358 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.478 HG23 ' O ' ' B' ' 84' ' ' ASP . 18.5 pt -158.51 -34.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.44 -179.669 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -50.67 -31.08 15.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.817 -178.139 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 6.9 t -65.13 -45.65 93.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.741 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.06 -60.4 2.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.969 -178.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 89' ' ' THR . . . . . . . . . . . . . 72.6 p -45.75 -22.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.057 -178.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 90' ' ' MET . . . . . 0.439 ' C ' ' SD ' ' B' ' 90' ' ' MET . 1.6 tmt? -74.38 -65.46 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.497 -0.319 . . . . 1.0 110.749 -178.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 10.5 tp -49.99 -30.69 11.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.948 -178.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -66.58 -69.87 0.28 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.151 -178.429 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -53.45 -17.4 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.651 -176.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.36 -64.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 1.0 110.856 -179.02 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 95' ' ' ILE . . . . . . . . . . . . . 69.9 mt -56.01 -18.25 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.496 -179.739 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 96' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -76.92 -35.96 56.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.852 -179.521 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 97' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -61.59 -65.36 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.529 -179.746 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -43.01 -76.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.807 -179.725 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' B' ' 99' ' ' ASN . 0.9 OUTLIER -81.29 125.75 30.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.306 178.624 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -163.64 67.78 1.62 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.7 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 101' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -49.17 -69.0 0.08 OUTLIER 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.788 2.325 . . . . 1.0 112.484 -179.489 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -168.57 153.17 6.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.485 -179.149 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.982 -1.009 . . . . 1.0 110.556 -179.788 . . . . . . . . 0 0 . 1 stop_ save_