data_2dm0_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 2dm0 _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 ' 12' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 59.1 mt -113.93 -35.42 5.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -45.86 -35.01 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 16' ' ' TYR . 40.5 pt -53.67 -37.3 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 63.2 m-85 -73.92 -176.15 2.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -116.62 -39.53 3.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.403 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 12.4 p-90 -65.22 -5.29 6.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 16.6 t80 -96.69 82.94 3.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.483 ' CE1' HD13 ' A' ' 31' ' ' LEU . 24.5 m-70 -77.43 100.94 6.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -98.83 161.89 13.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m120 62.39 43.25 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.7 pt -131.7 174.75 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 25' ' ' ARG . 15.3 t -133.7 165.78 24.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' THR . 15.7 ttp180 -34.21 -58.81 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -47.22 -51.48 18.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -55.53 -60.04 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.66 -62.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.86 -60.39 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -37.59 -54.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.483 HD13 ' CE1' ' A' ' 20' ' ' HIS . 42.3 mt -50.63 -50.41 54.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 HD11 ' CG2' ' A' ' 68' ' ' ILE . 52.4 mt -61.08 -46.87 88.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -46.26 -39.79 10.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -59.15 -44.59 92.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.502 ' OE2' ' CE ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -70.98 -45.58 63.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.539 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 43.1 p 43.14 48.38 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.566 ' HD2' ' CD1' ' A' ' 112' ' ' TYR . 11.8 pttt -146.69 123.16 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -40.36 119.76 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.61 -40.0 1.88 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.47 104.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.569 ' CE2' HD13 ' A' ' 110' ' ' LEU . 6.2 p90 -125.43 167.4 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 5.0 pt -159.81 175.19 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.7 t -140.02 123.53 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -130.71 173.78 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.87 155.92 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' HIS . 0.8 OUTLIER -93.86 93.82 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.2 tpm_? -37.45 -26.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.6 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -74.31 -54.01 8.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.6 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 10.4 tp -131.31 166.63 20.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -73.58 45.86 1.31 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -108.29 -177.04 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -133.41 137.09 45.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.456 HG22 ' N ' ' A' ' 54' ' ' ILE . 55.8 m -120.62 140.36 51.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.456 ' N ' HG22 ' A' ' 53' ' ' THR . 26.6 mt -100.53 125.0 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.12 108.54 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 29.0 t -110.23 155.54 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' A' ' 36' ' ' SER . 63.1 t80 -103.35 110.95 23.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' ALA . 7.0 mmt -81.88 -37.5 26.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.405 ' N ' ' HB1' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.774 0.321 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB1' ' N ' ' A' ' 59' ' ' GLY . . . -143.34 127.12 17.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.462 ' CG2' HD11 ' A' ' 32' ' ' LEU . 20.8 mt -132.49 127.03 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -102.12 163.29 12.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -134.11 104.74 6.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.801 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.471 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 17.9 m-85 -98.01 102.16 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.61 126.46 29.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.419 HG12 ' CG2' ' A' ' 83' ' ' VAL . 69.8 mt -87.32 109.29 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -99.76 174.92 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.432 ' CG ' ' HA2' ' A' ' 79' ' ' GLY . 23.3 ttpp -129.72 142.91 50.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.947 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.9 -178.72 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -31.92 61.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 m -79.6 14.06 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.432 ' HA2' ' CG ' ' A' ' 75' ' ' LYS . . . 50.66 42.73 45.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.527 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -116.38 135.92 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 110.929 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.439 ' CD2' HD12 ' A' ' 92' ' ' ILE . 72.1 m95 -80.07 138.7 37.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 3.9 p90 -150.14 142.68 24.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.974 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 77.9 t -108.02 -43.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.69 9.05 28.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.463 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 14.0 tt0 50.97 25.97 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -131.26 -32.19 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -120.27 109.81 15.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.63 138.67 36.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 72.2 m-85 -113.89 -176.1 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -106.82 -21.43 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -139.69 150.9 45.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.692 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 16.0 mm -58.63 -48.38 96.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.607 0.718 . . . . 0.0 111.087 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.692 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.65 -2.73 10.59 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.411 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -95.93 -37.06 10.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 2.5 tt -59.99 -37.56 80.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.3 mm -85.97 -17.93 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -54.52 -44.26 72.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 99' ' ' HIS . 9.0 m-85 -87.33 -52.71 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 98' ' ' TYR . 6.6 m-70 -34.9 -47.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -47.49 -46.68 27.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 98' ' ' TYR . 7.3 m-70 -76.49 -36.83 57.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.3 p30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.5 ttm180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.878 0.371 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.569 HD13 ' CE2' ' A' ' 41' ' ' PHE . 23.5 mt -35.24 122.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -114.68 -52.52 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.566 ' CD1' ' HD2' ' A' ' 37' ' ' LYS . 27.9 m-85 -104.83 92.02 4.8 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.694 0.759 . . . . 0.0 110.993 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.529 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 53.9 Cg_endo -69.76 79.93 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.238 . . . . 0.0 112.349 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.468 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 66.0 t -47.94 113.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -101.49 162.74 17.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.458 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 10.0 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.9 p30 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.511 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 58.3 mt -109.26 -34.05 6.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -47.18 -35.14 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 16' ' ' TYR . 31.6 pt -51.23 -34.23 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.469 ' N ' HG13 ' A' ' 15' ' ' ILE . 62.9 m-85 -74.22 -174.94 2.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.87 -34.29 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.417 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 8.7 p-90 -73.92 3.32 6.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.511 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 18.5 t80 -106.91 87.99 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.935 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 23.2 m-70 -86.17 95.51 9.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 8.5 ptm180 -90.37 -43.5 10.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -75.78 54.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.456 HD11 ' CB ' ' A' ' 20' ' ' HIS . 7.2 pt -148.85 172.28 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 t -129.38 165.39 21.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -37.3 -50.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -55.53 -54.45 43.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -52.1 -57.04 10.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.41 -64.42 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -56.5 -59.13 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.463 ' CD2' ' NE2' ' A' ' 34' ' ' GLN . 44.1 t60 -43.33 -65.8 0.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' HIS . 74.1 mt -34.29 -54.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.56 -48.07 81.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' NE ' ' HB3' ' A' ' 66' ' ' ALA . 52.3 mmm-85 -47.54 -49.4 26.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.463 ' NE2' ' CD2' ' A' ' 30' ' ' HIS . 33.5 mt-30 -56.55 -46.35 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -62.46 -46.88 86.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 5.4 t 51.83 51.91 15.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -144.18 115.32 7.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -39.28 150.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . 99.31 -44.35 1.69 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . -33.44 104.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 111.094 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 113' ' ' PRO . 1.4 p90 -133.45 131.91 40.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.6 pt -136.75 146.19 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.8 t -101.7 99.0 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -91.83 164.39 13.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -92.04 137.43 32.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.798 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.2 m -77.49 136.15 38.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -84.26 -46.16 12.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -50.44 -32.95 19.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.487 ' HG ' ' N ' ' A' ' 50' ' ' GLY . 52.3 tp -162.8 171.11 17.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.487 ' N ' ' HG ' ' A' ' 49' ' ' LEU . . . -72.7 46.69 1.14 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.503 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -97.38 -176.98 3.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -130.72 130.88 44.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -131.72 138.08 48.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.5 mt -102.88 144.21 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -119.61 99.94 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.33 150.01 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 56.5 t80 -101.62 117.79 35.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.1 mmt -79.05 -51.29 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.795 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.567 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.463 ' HB3' ' NE ' ' A' ' 33' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.851 0.358 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.41 128.09 40.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.7 mt -133.63 127.43 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -102.62 158.82 15.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -124.03 104.74 9.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -99.41 108.35 20.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -85.01 125.66 32.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.43 HG12 ' CG2' ' A' ' 83' ' ' VAL . 73.3 mt -81.9 112.58 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -97.78 179.33 4.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.515 ' NZ ' ' CE2' ' A' ' 81' ' ' TRP . 8.4 ttmm -126.49 140.51 52.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.443 ' C ' ' OD1' ' A' ' 76' ' ' ASN . 24.7 p-10 -88.84 -175.1 4.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.78 -30.19 69.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -85.21 19.38 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.09 51.03 58.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.423 ' CB ' ' O ' ' A' ' 89' ' ' PHE . 68.4 mt-30 -125.0 137.67 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.883 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.515 ' CE2' ' NZ ' ' A' ' 75' ' ' LYS . 91.7 m95 -79.89 142.81 34.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.443 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.9 p90 -158.3 157.13 31.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.97 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.43 ' CG2' HG12 ' A' ' 73' ' ' ILE . 39.0 t -121.12 -46.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.175 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.83 16.49 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 45.27 26.49 0.27 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -130.19 -31.13 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -120.25 113.8 20.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.762 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -107.06 139.08 42.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.515 ' CG ' ' HA ' ' A' ' 95' ' ' LEU . 86.4 m-85 -117.23 -175.39 2.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -106.65 -24.46 12.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.3 m -136.73 150.2 48.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.701 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 19.7 mm -59.48 -47.9 96.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.595 0.712 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.701 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.6 Cg_endo -69.77 -5.16 15.54 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.36 -39.95 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.515 ' HA ' ' CG ' ' A' ' 89' ' ' PHE . 1.5 tt -55.92 -38.79 70.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.47 HD11 ' CD2' ' A' ' 95' ' ' LEU . 17.8 mm -83.83 -28.27 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -43.33 -44.75 5.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.589 ' CE2' ' ND2' ' A' ' 102' ' ' ASN . 9.0 t80 -91.17 -52.72 4.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 98' ' ' TYR . 2.0 t-80 -36.99 -35.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -53.27 -48.29 68.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -103.98 39.76 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.589 ' ND2' ' CE2' ' A' ' 98' ' ' TYR . 58.5 m-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.769 0.319 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.3 mt -85.17 77.99 9.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 39' ' ' GLY . 31.8 ptt180 -115.9 164.57 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.435 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 3.0 m-85 61.94 55.02 2.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.742 0.782 . . . . 0.0 110.979 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.57 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.74 88.39 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.7 t -42.29 129.97 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -81.18 161.89 43.74 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.568 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 11.9 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.914 0.388 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.509 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 94.3 mt -109.09 -32.98 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -44.43 -42.81 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 16' ' ' TYR . 41.6 pt -40.93 -35.02 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.464 ' N ' HG13 ' A' ' 15' ' ' ILE . 57.8 m-85 -78.72 179.41 7.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -113.74 -32.19 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.467 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 11.2 p-90 -72.35 0.98 8.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 14.6 t80 -106.3 84.63 2.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.563 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 27.3 m-70 -82.72 91.36 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.506 ' HD2' ' CE2' ' A' ' 19' ' ' TYR . 4.4 ptm180 -85.28 -48.33 9.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -76.36 59.83 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.458 ' CG2' ' HB3' ' A' ' 20' ' ' HIS . 9.3 pt -147.31 176.41 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' ARG . 10.2 t -130.86 161.53 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.133 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' THR . 11.5 ttp180 -35.29 -47.18 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -59.43 -60.84 3.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -41.08 -52.64 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -47.23 -63.53 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -57.3 -56.34 23.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' LEU . 83.4 t60 -47.26 -67.4 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' HIS . 52.5 mt -34.62 -43.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.98 -49.34 65.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 30' ' ' HIS . 20.0 mmm-85 -42.02 -54.41 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -48.2 -42.9 31.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -65.95 -49.19 68.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 p 45.44 54.44 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.565 ' HE3' ' CE2' ' A' ' 112' ' ' TYR . 6.9 ptmt -157.13 108.8 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 37' ' ' LYS . 10.3 tt0 -34.39 117.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.69 -37.84 1.74 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.43 117.21 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 111.083 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.551 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 3.0 p90 -135.32 160.89 37.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 28' ' ' ALA . 15.9 pt -162.11 153.88 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.0 t -116.66 105.19 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -108.31 164.74 12.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -95.89 134.78 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 48' ' ' HIS . 1.9 t -66.48 95.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.789 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.5 ttm180 -37.86 -26.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -72.58 -61.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 56.7 tp -123.63 166.91 14.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.465 ' N ' ' HG ' ' A' ' 49' ' ' LEU . . . -74.16 43.77 1.28 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.467 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 49' ' ' LEU . 5.0 t -101.44 -177.19 3.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.943 0.401 . . . . 0.0 110.821 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.496 ' CD2' HD11 ' A' ' 92' ' ' ILE . 61.6 m-85 -128.83 153.22 47.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.403 HG23 ' C ' ' A' ' 71' ' ' TYR . 36.4 m -150.79 130.13 12.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.0 mt -92.81 121.99 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 m -105.72 102.5 11.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 25.0 t -103.15 152.4 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.404 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 45.0 t80 -97.75 110.23 22.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.459 ' HG3' ' CE ' ' A' ' 69' ' ' LYS . 4.6 mmt -76.46 -56.94 4.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.438 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.836 0.351 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -151.4 126.91 10.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.8 mt -137.08 132.18 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.537 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 11.1 mptt -104.09 158.22 16.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -126.79 106.74 9.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.537 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 4.8 m-85 -103.44 108.02 19.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -81.2 123.17 28.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.6 mt -78.04 105.91 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -100.17 175.21 5.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.561 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 1.3 ttmp? -124.43 139.26 54.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -92.5 -177.45 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.867 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -55.63 -32.13 62.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -81.1 16.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.465 ' HA2' ' CD ' ' A' ' 75' ' ' LYS . . . 48.27 39.19 20.43 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.546 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.425 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 75.7 mt-30 -111.99 145.03 40.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.561 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 72.3 m95 -82.57 131.44 35.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.436 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 21.2 p90 -145.53 159.67 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.443 ' CG2' HD12 ' A' ' 95' ' ' LEU . 85.4 t -127.96 -51.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.224 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.82 5.2 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.436 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 2.3 mt-10 56.56 24.98 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -134.06 -32.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -117.92 123.75 46.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.15 141.97 47.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 14.2 m-85 -119.09 -177.96 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -103.79 -23.78 13.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.5 m -132.59 148.95 52.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.693 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 13.1 mm -58.79 -48.44 96.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.592 0.711 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.693 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.8 Cg_endo -69.7 0.45 5.58 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.736 2.291 . . . . 0.0 112.393 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -98.61 -37.93 9.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.546 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.6 tt -59.76 -37.43 78.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.2 mm -87.65 -15.62 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -56.94 -46.59 81.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -86.2 -49.82 7.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -41.49 -42.58 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -52.66 -39.83 62.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -85.21 -38.2 19.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.859 0.361 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.551 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 14.1 mt -63.03 116.75 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.459 ' HG3' ' CD1' ' A' ' 112' ' ' TYR . 4.3 ptp180 -122.32 -37.47 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.565 ' CE2' ' HE3' ' A' ' 37' ' ' LYS . 11.7 m-85 -107.79 83.82 1.8 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.766 0.793 . . . . 0.0 110.963 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.426 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 53.3 Cg_endo -69.72 79.66 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.642 2.228 . . . . 0.0 112.381 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.446 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 94.8 t -38.05 118.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.18 164.3 54.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.563 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.6 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.5 t30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.784 0.326 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 22.0 mt -102.98 -31.24 10.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -44.63 -45.28 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.483 HD13 ' CZ ' ' A' ' 16' ' ' TYR . 43.4 pt -41.36 -34.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 19.9 m-85 -81.1 170.46 16.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -106.19 -37.38 6.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.417 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 14.3 p-90 -63.56 -17.01 62.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 10.1 t80 -84.6 75.97 10.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.411 ' CD2' HG22 ' A' ' 42' ' ' ILE . 47.6 m-70 -66.44 93.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 42.6 ptt85 -92.0 152.77 19.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.9 t30 74.15 41.5 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.2 pt -134.47 177.9 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' ARG . 10.1 t -136.42 163.89 29.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' THR . 56.6 ttp180 -34.28 -55.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -49.55 -55.29 13.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -54.24 -58.72 6.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.2 -58.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -60.73 -57.13 14.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -41.31 -66.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.3 mt -37.87 -42.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.33 -50.71 29.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -50.88 -39.93 55.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -60.0 -47.46 85.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.46 -51.82 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 m 61.81 42.39 10.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.514 ' HE2' ' CG ' ' A' ' 112' ' ' TYR . 5.2 pttm -139.31 110.04 6.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 37' ' ' LYS . 52.5 tt0 -37.5 145.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 40' ' ' ALA . . . 104.0 -50.16 0.89 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . -33.01 116.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 111.08 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CZ ' HD11 ' A' ' 110' ' ' LEU . 8.2 p90 -133.3 161.12 35.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.422 ' CG2' ' O ' ' A' ' 41' ' ' PHE . 24.9 pt -160.41 153.25 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -116.19 109.55 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.486 HH12 ' CE1' ' A' ' 70' ' ' HIS . 17.4 ptt180 -95.79 166.58 11.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.805 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -100.91 117.09 34.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.797 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.3 m -56.48 129.7 41.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 48' ' ' HIS . 6.7 ppt_? -78.52 -39.57 37.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.4 p80 -57.76 -38.48 75.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.553 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 4.1 tp -156.76 177.09 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.58 44.51 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.543 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 m -96.21 -178.96 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.845 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.562 ' CD1' HD11 ' A' ' 92' ' ' ILE . 43.3 m-85 -138.42 153.39 48.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.2 m -146.3 132.72 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.8 mt -95.78 126.85 48.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 m -111.2 97.18 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 37.5 t -97.33 152.87 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.411 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 56.2 t80 -100.46 116.73 33.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.3 mmt -88.04 -59.52 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.848 0.356 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.19 136.21 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.5 mt -137.74 132.5 44.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 2.7 mptm? -102.19 160.15 14.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.486 ' CE1' HH12 ' A' ' 44' ' ' ARG . 95.9 m-70 -132.49 105.78 7.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.539 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 4.5 m-85 -104.21 103.95 13.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -78.09 112.29 14.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.1 mt -74.34 107.27 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -96.45 175.58 6.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -128.21 145.75 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.455 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -100.73 -175.66 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -31.9 66.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -81.3 19.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 46.19 41.06 10.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.455 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 44.8 mt-30 -113.37 135.55 53.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.516 ' CG ' HD13 ' A' ' 92' ' ' ILE . 86.6 m95 -81.91 131.63 35.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 20.3 p90 -144.18 149.92 37.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.434 ' CG2' HD12 ' A' ' 95' ' ' LEU . 98.2 t -112.84 -52.29 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.211 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.15 17.95 2.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.571 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 14.5 tt0 43.39 27.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -130.89 -30.85 1.77 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -121.27 108.68 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.24 135.7 40.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 80.8 m-85 -111.79 -174.97 2.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.795 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -105.69 -28.11 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 m -136.04 152.49 50.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.696 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.6 mm -58.71 -48.25 97.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.66 0.743 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.696 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.1 Cg_endo -69.73 -2.84 10.85 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.268 . . . . 0.0 112.344 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -94.64 -40.46 9.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.549 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.9 tt -58.09 -37.55 74.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.6 mm -85.5 -19.71 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -53.62 -48.05 69.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -83.4 -49.23 9.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -37.86 -36.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -57.3 -62.12 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -65.36 -49.65 68.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 110' ' ' LEU . 16.3 ttp180 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.573 HD11 ' CZ ' ' A' ' 41' ' ' PHE . 24.8 mt -33.48 116.89 0.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.21 -56.58 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.514 ' CG ' ' HE2' ' A' ' 37' ' ' LYS . 11.8 m-85 -103.15 95.47 6.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.651 0.739 . . . . 0.0 110.915 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 79.58 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.61 2.207 . . . . 0.0 112.384 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.3 t -49.01 113.95 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -106.57 169.47 15.36 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 115' ' ' GLY . 11.0 mp . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 21.3 mt -108.84 -29.81 8.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -49.33 -37.62 25.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 16' ' ' TYR . 12.2 pt -53.41 -29.75 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.472 ' N ' HG13 ' A' ' 15' ' ' ILE . 61.5 m-85 -83.79 -179.95 7.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -113.22 -36.23 5.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.404 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 11.5 p-90 -67.89 -2.98 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 19.8 t80 -97.87 84.05 3.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.518 ' CD2' HG23 ' A' ' 42' ' ' ILE . 10.4 m-70 -78.49 97.89 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.801 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 12.3 ptm180 -104.84 160.05 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.8 t30 64.97 43.27 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 pt -126.48 178.42 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -128.22 159.55 34.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -38.77 -42.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -60.87 -46.1 91.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -59.09 -55.1 39.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.14 -61.54 1.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -63.05 -58.39 7.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -39.41 -58.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.2 mt -44.32 -54.32 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.39 -50.26 74.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -41.85 -44.71 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -59.23 -46.14 89.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -40.91 91.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.3 m 45.01 44.31 8.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.816 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.565 ' HE3' ' CE2' ' A' ' 112' ' ' TYR . 1.9 ptmt -150.47 146.16 26.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -65.21 139.39 58.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.53 -44.67 1.43 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.22 119.6 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.447 ' CE1' ' HA ' ' A' ' 113' ' ' PRO . 4.4 p90 -144.9 159.64 42.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.518 HG23 ' CD2' ' A' ' 20' ' ' HIS . 12.0 pt -157.41 165.02 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.8 t -123.18 113.52 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -108.98 159.55 16.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.98 138.95 30.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' LEU . 74.5 m -74.44 134.75 42.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -79.18 -42.77 25.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.3 p80 -55.78 -36.69 67.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.494 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 7.2 tp -158.45 176.89 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.42 47.05 1.68 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.471 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 t -99.79 -177.75 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.965 0.412 . . . . 0.0 110.802 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.513 ' CD2' HD12 ' A' ' 92' ' ' ILE . 93.1 m-85 -133.49 147.1 51.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.1 m -142.52 128.11 19.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.3 mt -93.26 146.98 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.6 m -129.35 106.89 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.799 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.496 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 18.4 t -103.99 157.36 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.496 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 72.1 t80 -103.15 107.57 18.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.4 mmt -74.61 -56.39 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.792 0.33 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.23 130.21 52.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.5 mt -133.93 129.79 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -101.46 169.6 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -141.04 105.46 4.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.465 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 10.7 m-85 -98.86 117.55 33.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -87.42 111.74 21.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 55.1 mt -68.73 105.81 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -97.87 174.14 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.506 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 14.7 ttmt -128.29 131.52 48.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 76' ' ' ASN . 40.5 p30 -77.75 179.19 6.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.48 -33.49 69.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -72.82 -11.96 60.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.17 35.28 21.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -107.63 139.81 41.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.506 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 79.8 m95 -79.87 123.16 27.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 p90 -144.34 148.46 34.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.954 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 84.2 t -118.25 -51.48 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 86' ' ' ARG . . . -83.17 23.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 84' ' ' ALA . 1.1 pp20? 33.11 32.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 84' ' ' ALA . 17.7 mmt180 -134.06 -26.62 1.49 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -131.5 108.36 9.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -98.53 140.56 32.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.527 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 32.6 m-85 -121.37 -178.85 3.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -106.47 -24.82 12.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.1 m -130.6 149.24 52.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.696 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.6 mm -59.34 -48.04 96.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 111.192 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.696 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.76 1.48 4.4 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.692 2.262 . . . . 0.0 112.398 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -99.61 -40.22 7.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.527 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -57.66 -34.94 69.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.4 mm -86.86 -19.87 7.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -53.93 -41.1 67.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -90.37 -44.57 9.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -43.32 -36.69 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -66.08 -51.65 56.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -63.3 -40.56 97.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.0 ttp85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.43 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 12.6 mt -50.35 101.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -116.43 -30.01 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.565 ' CE2' ' HE3' ' A' ' 37' ' ' LYS . 23.3 m-85 -111.76 82.9 4.2 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.701 0.762 . . . . 0.0 110.855 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.447 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 54.3 Cg_endo -69.78 79.68 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.613 2.209 . . . . 0.0 112.409 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.403 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 41.2 t -42.53 105.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.88 163.67 50.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.531 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.6 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.738 0.304 . . . . 0.0 110.92 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 86.7 mt -115.6 -35.78 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.491 ' OE2' ' CZ ' ' A' ' 21' ' ' ARG . 4.0 mt-10 -49.66 -39.96 38.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 16' ' ' TYR . 31.9 pt -49.57 -32.81 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.456 ' N ' HG13 ' A' ' 15' ' ' ILE . 43.8 m-85 -79.77 179.39 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -113.55 -38.89 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.7 p-90 -65.01 -5.53 6.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 27.4 t80 -97.17 82.5 3.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.426 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 19.4 m-70 -79.75 87.1 5.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.491 ' CZ ' ' OE2' ' A' ' 14' ' ' GLU . 11.4 ptt180 -89.42 165.45 14.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.8 t30 62.46 40.92 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.404 ' CD1' ' HD3' ' A' ' 44' ' ' ARG . 15.2 pt -128.86 174.62 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.137 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.1 p -119.2 179.0 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -37.36 76.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -68.55 -41.43 79.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -57.78 -54.72 43.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.463 ' HB3' ' NE ' ' A' ' 44' ' ' ARG . . . -48.34 -64.52 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -54.74 -56.16 22.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -42.65 -64.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.1 mt -39.98 -46.15 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 68' ' ' ILE . 51.0 mt -64.73 -56.98 10.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' LEU . 52.4 mmm-85 -36.9 -49.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.821 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -52.16 -43.84 64.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LEU . 3.2 mm-40 -68.98 -51.89 34.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 89.2 p 52.29 54.79 10.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.62 125.37 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -41.12 144.42 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 41' ' ' PHE . . . 108.61 -46.96 1.09 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.48 96.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.633 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -123.71 132.02 53.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.429 HG13 ' NH2' ' A' ' 44' ' ' ARG . 1.1 pt -127.83 165.12 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.452 ' CG2' HG12 ' A' ' 54' ' ' ILE . 22.8 t -140.55 133.19 32.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.053 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.463 ' NE ' ' HB3' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -138.52 174.93 10.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.19 138.2 31.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' HIS . 2.0 m -88.11 74.47 8.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 5.9 mmm180 -35.05 -31.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -56.19 -53.94 51.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.2 tp -137.25 173.61 11.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.59 46.22 1.64 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.469 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.7 m -125.65 -176.96 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.811 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.558 ' CD1' HD13 ' A' ' 92' ' ' ILE . 83.4 m-85 -132.48 167.07 20.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.4 HG21 ' N ' ' A' ' 54' ' ' ILE . 81.4 m -147.26 139.52 24.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.452 HG12 ' CG2' ' A' ' 43' ' ' VAL . 32.2 mt -117.45 133.86 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -110.13 112.8 25.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.2 t -111.42 132.25 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.572 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 53.8 t80 -80.43 112.23 17.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.9 mmt -82.67 -46.16 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.481 -179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.854 0.359 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.43 122.84 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.053 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.454 HG23 ' CD1' ' A' ' 32' ' ' LEU . 30.8 mt -133.08 125.77 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -102.27 155.93 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -125.02 105.93 9.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -93.92 115.37 27.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -89.46 124.25 34.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.2 mt -86.69 104.92 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -95.99 174.15 7.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.47 ' CD ' ' HA2' ' A' ' 79' ' ' GLY . 1.1 ttmp? -124.36 138.6 54.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.478 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -91.27 -176.89 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -55.83 -33.4 64.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.13 12.25 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.47 ' HA2' ' CD ' ' A' ' 75' ' ' LYS . . . 53.54 36.61 54.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.478 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 47.6 mt-30 -108.61 142.42 39.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -79.93 138.62 37.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.518 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 4.6 p90 -154.45 145.01 22.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.6 t -110.92 -48.01 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.5 4.41 24.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.518 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 15.6 tt0 55.66 25.07 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -131.17 -32.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -122.14 108.49 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -98.75 145.64 26.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.486 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 41.6 m-85 -121.05 -174.89 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -107.39 -23.36 12.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 m -135.78 149.69 49.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.692 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 13.7 mm -58.45 -48.56 96.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.682 0.753 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.692 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.2 Cg_endo -69.7 -3.34 11.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.727 2.285 . . . . 0.0 112.383 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -94.0 -39.57 10.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.486 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.5 tt -58.79 -35.39 72.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.46 ' O ' ' CG ' ' A' ' 100' ' ' GLN . 7.6 mm -88.2 -14.93 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -58.99 -43.59 91.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -91.88 -53.63 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -45.37 -26.68 0.57 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 5.4 mm-40 -52.73 -37.92 59.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -107.99 -47.78 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.3 m120 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.85 0.357 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 65.4 mt -54.99 102.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -132.88 178.06 7.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.43 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 5.9 m-85 45.36 55.03 14.23 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.734 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 54.6 Cg_endo -69.72 90.05 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.698 2.266 . . . . 0.0 112.312 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 113' ' ' PRO . 79.1 t -35.31 130.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.0 165.65 49.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.525 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.426 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.5 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 p30 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.944 0.402 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 70.4 mt -127.31 -30.25 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -47.7 -41.55 22.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 16' ' ' TYR . 19.5 pt -48.02 -30.36 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.459 ' N ' HG13 ' A' ' 15' ' ' ILE . 56.2 m-85 -80.76 173.93 12.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -109.36 -31.01 7.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.0 p-90 -75.68 4.02 8.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 22.1 t80 -107.45 78.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 43' ' ' VAL . 49.8 m-70 -76.78 91.62 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 11.7 ptt180 -95.32 156.54 16.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.829 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 72.55 43.77 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 pt -134.31 -179.48 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -136.21 168.4 19.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -38.82 -57.61 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.816 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -48.6 -48.84 38.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -62.11 -54.53 39.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.09 -64.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -55.34 -51.27 67.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.45 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 2.6 t-160 -48.64 -66.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.832 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 30' ' ' HIS . 61.8 mt -36.62 -40.66 0.27 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.459 ' CD1' HG23 ' A' ' 68' ' ' ILE . 62.2 mt -72.65 -52.39 15.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -41.71 -41.15 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.54 -43.55 79.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' CD ' HG23 ' A' ' 114' ' ' VAL . 9.7 mt-10 -68.64 -48.94 62.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.563 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 18.2 p 49.69 54.85 10.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.524 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 9.5 ptpt -161.06 118.56 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' LYS . 20.2 tt0 -33.34 136.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.452 ' HA3' ' CG ' ' A' ' 111' ' ' ARG . . . 112.37 -42.41 1.96 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.36 99.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.074 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 110' ' ' LEU . 2.1 p90 -126.41 163.87 22.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.0 pt -158.48 167.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' HIS . 58.4 t -135.51 138.51 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.453 HH22 ' N ' ' A' ' 55' ' ' SER . 1.5 ptp85 -144.02 174.91 10.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.55 134.69 38.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.8 m -64.88 151.2 46.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -95.89 -40.8 9.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.468 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.3 p-80 -57.22 -42.41 81.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 37.2 mt -150.34 -175.11 4.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.61 40.53 2.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.539 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.8 t -99.27 -177.28 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -131.11 158.18 41.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.98 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.461 HG23 ' N ' ' A' ' 54' ' ' ILE . 94.5 m -146.57 139.96 25.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.178 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.468 HG12 ' CG2' ' A' ' 43' ' ' VAL . 51.4 mt -118.5 128.9 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.189 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.453 ' N ' HH22 ' A' ' 44' ' ' ARG . 38.8 m -107.23 114.4 28.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.0 t -108.22 136.67 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 36' ' ' SER . 39.0 t80 -87.6 116.38 25.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mmt -72.81 -59.01 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.797 0.332 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.34 135.35 45.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.459 HG23 ' CD1' ' A' ' 32' ' ' LEU . 29.4 mt -137.51 126.63 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.24 163.73 12.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -133.93 104.63 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -97.7 114.69 26.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -83.76 134.32 34.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.3 mt -95.17 113.26 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -106.29 170.03 8.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.506 ' HE2' ' CZ2' ' A' ' 81' ' ' TRP . 23.6 ttmt -115.8 138.64 50.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 76' ' ' ASN . 18.1 p-10 -84.33 -177.27 6.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -62.48 -35.13 78.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.794 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -84.74 18.44 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.7 53.61 42.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -122.12 134.97 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.955 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.506 ' CZ2' ' HE2' ' A' ' 75' ' ' LYS . 80.7 m95 -79.82 132.07 36.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 13.4 p90 -151.51 149.15 28.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 64.8 t -116.2 -50.57 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.076 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.8 -1.2 26.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.508 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.2 mt-10 59.21 24.96 13.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -130.76 -31.73 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -122.79 103.08 8.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.52 143.45 26.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.531 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 62.0 m-85 -119.74 -176.27 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -109.0 -23.09 11.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -136.62 150.87 48.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.8 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.684 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.8 mm -58.85 -48.72 96.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.679 0.752 . . . . 0.0 111.182 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.684 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.9 Cg_endo -69.78 1.21 4.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.258 . . . . 0.0 112.347 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -100.11 -37.5 8.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.531 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -60.49 -36.58 78.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.441 ' CD1' HD22 ' A' ' 95' ' ' LEU . 12.2 mm -88.15 -13.68 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -59.08 -41.1 87.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -90.89 -51.01 5.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -37.74 -47.29 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -49.57 -50.07 43.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -67.44 -49.22 64.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.856 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.887 0.375 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 28.2 mt -53.82 114.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.452 ' CG ' ' HA3' ' A' ' 39' ' ' GLY . 9.4 ptp180 -120.05 -42.49 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.524 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 3.5 m-85 -107.77 83.53 1.69 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.66 0.743 . . . . 0.0 110.927 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 80.51 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.278 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.41 HG23 ' CD ' ' A' ' 35' ' ' GLU . 72.7 t -45.73 107.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.52 171.59 30.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.917 0.389 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.402 ' HA ' ' CE2' ' A' ' 16' ' ' TYR . 92.5 mt -125.29 -34.11 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.962 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -45.21 -39.84 6.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.462 HD13 ' CZ ' ' A' ' 16' ' ' TYR . 35.9 pt -46.35 -35.49 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 19.6 m-85 -79.64 175.0 11.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -107.84 -44.27 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.438 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 18.4 p-90 -56.34 -20.34 18.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.438 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 9.5 t80 -81.62 76.42 8.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 8.1 m-70 -73.23 108.17 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -107.35 154.06 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.5 t30 75.0 44.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.0 pt -137.34 178.48 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' ARG . 14.8 t -137.14 166.82 22.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' THR . 14.7 ttt-85 -35.89 -57.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -48.62 -52.74 21.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -56.61 -56.13 25.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.97 -64.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.92 -43.98 73.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 31' ' ' LEU . 7.6 t60 -54.6 -66.06 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' HIS . 98.4 mt -35.9 -44.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.7 -53.87 19.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.8 mmm-85 -40.33 -45.68 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -56.24 -45.86 79.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.78 -44.26 77.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.573 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 24.6 p 49.24 42.59 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.624 ' CE ' ' CE2' ' A' ' 112' ' ' TYR . 0.3 OUTLIER -134.9 124.79 25.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -50.37 134.5 23.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.02 -44.4 1.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.29 121.51 1.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 14.2 p90 -140.69 155.92 46.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.0 pt -146.97 163.13 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.433 ' CG2' HG12 ' A' ' 54' ' ' ILE . 89.8 t -134.16 120.86 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.093 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.437 HH22 ' N ' ' A' ' 55' ' ' SER . 1.9 ptp85 -120.37 174.91 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -98.03 128.18 44.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.7 m -84.43 72.31 10.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' SER . 38.0 mmt180 -35.43 -36.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -46.89 -56.35 6.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -136.5 171.97 13.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.49 ' N ' HD21 ' A' ' 49' ' ' LEU . . . -74.16 48.25 1.73 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.2 m -126.9 -177.27 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.556 ' CD2' HD12 ' A' ' 92' ' ' ILE . 93.4 m-85 -132.41 171.93 13.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 54' ' ' ILE . 91.1 m -150.4 144.29 25.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.462 ' N ' HG22 ' A' ' 53' ' ' THR . 28.9 mt -125.31 122.83 63.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.437 ' N ' HH22 ' A' ' 44' ' ' ARG . 44.0 m -102.79 111.84 24.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.9 t -104.45 139.3 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 41.1 t80 -87.43 112.31 22.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.5 mmt -80.88 -49.45 11.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.406 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.568 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.768 0.318 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.09 126.73 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.1 mt -135.74 127.49 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 2.6 mptm? -101.5 161.3 13.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -126.24 104.72 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 5.0 m-85 -101.86 107.17 18.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -83.79 125.39 31.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.4 mt -86.13 107.23 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.467 ' NZ ' ' CE1' ' A' ' 82' ' ' TYR . 3.1 mtmp? -101.07 -176.09 3.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.982 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -127.61 146.26 50.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.424 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -101.74 -174.74 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -56.91 -33.04 66.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.0 16.01 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 49.41 40.55 31.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.424 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 69.3 mt-30 -114.79 143.0 45.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.895 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.465 ' CD2' HD11 ' A' ' 92' ' ' ILE . 85.3 m95 -80.25 138.4 36.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.564 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 46.9 p90 -154.79 161.03 41.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 90.3 t -126.39 -48.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.0 -5.68 52.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 mt-10 66.91 25.0 9.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -134.85 -33.45 0.94 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -115.58 111.74 21.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -106.24 141.07 38.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 50.9 m-85 -115.32 -174.66 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -103.33 -29.05 11.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.423 ' HB2' ' CD ' ' A' ' 94' ' ' GLU . 3.5 m -134.76 153.32 52.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.699 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.5 mm -60.09 -48.04 95.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.699 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.74 -6.33 18.32 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.423 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.1 OUTLIER -92.64 -34.44 13.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.8 tt -61.95 -40.53 95.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.4 mm -84.65 -14.2 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -57.76 -45.0 86.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 99' ' ' HIS . 7.7 m-85 -89.86 -50.51 6.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' TYR . 4.3 m-70 -38.17 -44.29 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -52.0 -49.22 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -67.05 -45.37 77.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.816 0.341 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.579 HD13 ' CZ ' ' A' ' 41' ' ' PHE . 11.2 mt -61.86 127.21 30.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -124.87 -47.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.624 ' CE2' ' CE ' ' A' ' 37' ' ' LYS . 73.9 m-85 -105.09 91.81 4.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.683 0.754 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 79.36 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 0.0 112.351 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 63.8 t -40.92 118.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -90.26 163.28 30.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.454 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.2 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.843 0.354 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 27.0 mt -109.32 -29.82 8.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -48.5 -41.51 30.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 16' ' ' TYR . 16.1 pt -47.94 -27.88 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.434 ' N ' HG13 ' A' ' 15' ' ' ILE . 55.3 m-85 -85.03 178.23 7.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -113.24 -35.6 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.2 p-90 -70.58 -0.3 8.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 13.8 t80 -100.73 80.27 2.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.522 ' CD2' HG21 ' A' ' 42' ' ' ILE . 45.5 m-70 -74.48 98.29 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 24.6 ptt180 -101.22 154.76 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 72.26 43.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.6 pt -130.69 176.63 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ARG . 13.4 t -131.02 164.13 26.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.0 tpp180 -34.66 -59.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -47.41 -51.13 20.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -54.43 -57.31 11.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.57 -60.16 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -61.03 -59.69 4.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' ARG . 68.7 t60 -42.96 -64.86 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.789 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' HIS . 19.9 mt -35.95 -40.75 0.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.29 -43.85 39.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' HIS . 21.3 mmt85 -52.94 -39.73 63.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -55.51 -46.44 76.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -66.13 -51.14 60.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.9 m 61.35 51.2 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.38 148.64 32.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -71.49 117.03 12.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.995 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.88 -38.3 1.92 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.24 112.66 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.339 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.41 ' CG ' HD23 ' A' ' 110' ' ' LEU . 4.3 p90 -132.88 159.3 40.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.522 HG21 ' CD2' ' A' ' 20' ' ' HIS . 21.4 pt -156.73 161.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.1 t -125.17 108.23 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.5 ptt85 -103.65 169.35 8.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -99.2 135.28 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 m -72.94 139.8 47.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -83.81 -46.42 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -52.23 -29.43 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.5 ' HG ' ' N ' ' A' ' 50' ' ' GLY . 54.3 tp -165.16 171.07 14.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.5 ' N ' ' HG ' ' A' ' 49' ' ' LEU . . . -72.48 47.04 1.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -98.72 -177.1 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.948 0.404 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.572 ' CD2' HD13 ' A' ' 92' ' ' ILE . 98.1 m-85 -134.03 156.99 47.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.2 m -151.74 134.96 15.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.444 ' CD1' HD11 ' A' ' 96' ' ' ILE . 24.2 mt -97.25 138.56 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.3 m -121.3 101.64 7.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.798 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.8 t -101.33 150.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -97.09 108.86 21.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.417 ' CG ' ' HD3' ' A' ' 69' ' ' LYS . 6.1 mmt -78.03 -68.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.779 0.323 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.9 129.74 42.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.5 mt -131.13 133.12 63.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.417 ' HD3' ' CG ' ' A' ' 58' ' ' MET . 12.4 mptt -101.93 158.12 16.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -130.74 104.77 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.454 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 8.2 m-85 -100.21 98.15 8.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -71.78 112.35 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 52' ' ' TYR . 21.9 mt -70.29 110.73 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -101.73 172.53 6.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.565 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 24.8 ttmt -126.31 138.12 53.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 79' ' ' GLY . 47.3 p30 -79.7 -177.7 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.53 -33.28 75.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 m -71.23 -17.82 62.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . 93.56 30.82 8.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.425 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 38.8 mt-30 -106.12 142.59 35.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.565 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 71.1 m95 -79.88 133.77 36.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.537 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 3.9 p90 -151.93 158.67 43.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 62.3 t -121.43 -49.57 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.228 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.82 6.36 15.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.537 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 18.4 tt0 54.06 25.21 5.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -131.9 -32.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -117.93 105.42 11.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.26 146.29 24.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 91.7 m-85 -118.72 -175.44 2.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -106.76 -24.69 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.425 ' HB2' ' CD ' ' A' ' 94' ' ' GLU . 1.9 m -139.46 152.79 47.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.678 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 5.3 mm -60.33 -49.01 92.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.579 0.704 . . . . 0.0 111.158 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.678 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 52.8 Cg_endo -69.76 -4.79 14.74 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.729 2.286 . . . . 0.0 112.298 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.425 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.1 OUTLIER -94.91 -34.74 12.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.572 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.3 tt -60.94 -35.93 78.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.444 HD11 ' CD1' ' A' ' 54' ' ' ILE . 11.6 mm -86.72 -13.04 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.148 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.4 t-105 -61.29 -36.91 81.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.597 ' CD2' ' OD1' ' A' ' 102' ' ' ASN . 1.5 t80 -92.05 -47.28 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -41.02 -34.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -53.22 -56.97 12.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -70.52 -55.06 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.597 ' OD1' ' CD2' ' A' ' 98' ' ' TYR . 1.1 p30 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.821 0.344 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.41 HD23 ' CG ' ' A' ' 41' ' ' PHE . 21.3 mt -57.06 117.73 4.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -114.45 -55.96 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -103.92 93.92 5.88 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.661 0.744 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 114' ' ' VAL . 53.4 Cg_endo -69.82 79.74 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.291 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.461 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 97.6 t -33.33 110.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.19 158.17 50.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.549 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.904 -179.898 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.7 t30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.899 0.381 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.562 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 22.2 mt -120.52 -20.02 7.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -50.27 -44.63 53.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.4 pt -46.49 -36.74 2.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.07 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -74.05 -175.01 2.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.08 -36.19 3.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.6 p-90 -66.93 -3.7 7.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.562 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 20.6 t80 -94.84 77.11 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.547 ' CD2' HG23 ' A' ' 42' ' ' ILE . 15.3 m-70 -75.11 93.15 2.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -96.9 167.15 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.9 t30 65.26 37.59 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.7 pt -131.2 175.22 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.208 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.9 p -117.34 176.18 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tpp85 -58.82 -31.47 68.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -75.38 -40.91 57.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -57.46 -52.49 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.413 ' HB2' ' NH1' ' A' ' 44' ' ' ARG . . . -46.06 -61.84 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.11 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -53.2 -59.63 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -38.41 -52.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.1 mt -52.97 -52.66 57.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.402 ' CD1' HG23 ' A' ' 68' ' ' ILE . 26.2 mt -57.19 -46.17 83.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -46.87 -50.0 19.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -48.64 -41.85 32.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.36 -64.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 5.8 m 69.85 44.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.571 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 12.0 ptpt -151.83 126.16 9.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER -44.88 138.2 3.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.479 ' N ' ' OE1' ' A' ' 38' ' ' GLU . . . 113.87 -46.08 1.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.436 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.34 120.19 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 111.077 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.504 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 9.1 p90 -141.01 169.01 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.547 HG23 ' CD2' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -164.81 167.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.12 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.4 t -134.77 138.0 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' NH2' ' CB ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -134.01 174.56 10.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.06 132.86 42.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' HIS . 6.7 m -92.19 72.9 5.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' SER . 14.1 ttt180 -37.55 -27.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -56.73 -61.13 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.455 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -132.81 45.74 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . 37.75 31.46 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' LEU . 20.6 m -92.29 -177.43 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.866 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.577 ' CD1' HD13 ' A' ' 92' ' ' ILE . 71.7 m-85 -130.94 131.78 44.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.016 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 54' ' ' ILE . 97.5 m -118.49 140.69 49.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.467 ' N ' HG23 ' A' ' 53' ' ' THR . 68.9 mt -116.92 120.1 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.459 ' CB ' ' NH2' ' A' ' 44' ' ' ARG . 73.8 m -104.13 105.26 15.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.9 t -98.65 147.42 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 56.6 t80 -92.68 111.91 23.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.2 mmt -83.37 -49.46 9.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.437 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.787 0.327 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.26 124.08 18.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.402 HG23 ' CD1' ' A' ' 32' ' ' LEU . 20.2 mt -133.34 127.77 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.44 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 13.1 mptt -103.33 157.34 17.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -122.7 112.31 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 7.3 m-85 -107.93 108.04 19.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -79.31 130.96 35.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 85.1 mt -85.44 111.93 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.451 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -102.05 175.94 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.835 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.499 ' CE ' ' CH2' ' A' ' 81' ' ' TRP . 24.3 ttmt -127.39 140.98 51.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.454 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -95.34 -179.99 4.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -52.98 -31.62 41.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -81.33 17.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 47.8 37.75 15.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.454 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 72.1 mt-30 -110.2 143.45 40.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.724 0.297 . . . . 0.0 110.883 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.499 ' CH2' ' CE ' ' A' ' 75' ' ' LYS . 74.8 m95 -80.03 144.68 33.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.52 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 5.3 p90 -158.79 143.4 15.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 66.2 t -107.62 -45.61 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.162 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.54 7.75 21.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.52 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 16.7 tt0 51.94 26.0 3.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -132.37 -32.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -120.09 110.17 16.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.92 145.1 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 35.6 m-85 -119.58 -176.0 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -104.09 -21.78 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 m -139.23 150.3 45.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.674 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.0 mm -57.85 -49.38 94.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.69 0.757 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.8 Cg_endo -69.77 -6.44 18.62 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.268 . . . . 0.0 112.335 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -90.91 -34.22 15.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.548 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.2 tt -62.79 -39.29 93.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.484 ' CD1' ' CD2' ' A' ' 95' ' ' LEU . 4.7 mm -84.8 -15.45 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.4 t-105 -55.98 -38.29 70.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' HIS . 50.6 t80 -92.4 -52.3 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' TYR . 18.9 m-70 -36.5 -44.41 0.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -50.69 -49.4 57.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -72.62 -47.98 43.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.504 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 39.4 mt -67.69 117.22 9.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 65.9 mtp85 -108.68 -53.54 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.571 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 41.5 m-85 -106.88 91.83 6.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.702 0.763 . . . . 0.0 110.951 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 79.93 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.39 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.41 117.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -103.45 171.11 20.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 115' ' ' GLY . 10.7 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' HB3' ' CD2' ' A' ' 19' ' ' TYR . 95.9 mt -111.42 -38.21 5.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -45.37 -39.9 7.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.467 HD12 ' CZ ' ' A' ' 16' ' ' TYR . 44.0 pt -45.33 -37.95 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.467 ' CZ ' HD12 ' A' ' 15' ' ' ILE . 28.1 m-85 -81.55 169.9 16.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -103.02 -41.48 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 19.4 p-90 -57.03 -12.76 2.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 9.0 t80 -90.03 84.09 6.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.476 ' CE1' HD12 ' A' ' 31' ' ' LEU . 13.3 m-70 -82.67 106.81 14.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.427 ' HD2' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -109.84 150.11 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.8 t30 72.16 42.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.2 pt -129.57 -176.74 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.3 t -137.02 157.12 47.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 24' ' ' THR . 24.9 ttp180 -34.22 -47.04 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -56.54 -51.2 69.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' THR . 27.7 mm100 -59.05 -50.23 74.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.15 -58.68 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.57 -56.08 26.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -48.42 -52.2 23.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.476 HD12 ' CE1' ' A' ' 20' ' ' HIS . 19.3 mt -48.87 -56.33 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 40' ' ' ALA . 39.5 mt -51.71 -46.19 63.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -54.13 -23.4 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 16.1 mm-40 -63.77 -36.74 84.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 35' ' ' GLU . 15.1 mp0 -84.19 -31.7 24.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.5 p 41.76 54.63 3.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.554 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 7.2 ptpt -155.95 144.74 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -64.07 118.84 9.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.447 ' HA3' ' CG ' ' A' ' 111' ' ' ARG . . . 134.24 -29.16 3.08 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.427 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB3' ' CD2' ' A' ' 32' ' ' LEU . . . -57.02 122.97 13.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' A' ' 113' ' ' PRO . 8.8 p90 -137.64 160.49 39.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.403 ' CG1' ' HB3' ' A' ' 55' ' ' SER . 10.2 pt -156.97 156.92 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.3 t -124.94 121.43 61.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -113.44 160.05 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -92.94 142.35 27.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.7 m -83.75 138.25 33.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -81.05 -45.32 16.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.2 p80 -51.88 -36.73 49.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.6 tp -157.8 178.05 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.7 46.39 1.7 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 m -98.87 -177.53 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.563 ' CD1' HD13 ' A' ' 92' ' ' ILE . 65.9 m-85 -143.11 149.12 37.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.1 m -130.47 130.68 44.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.6 mt -94.72 140.13 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.403 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -127.08 105.76 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 25.1 t -103.88 154.04 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.433 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 52.0 t80 -100.75 108.88 20.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mmt -80.61 -52.11 7.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.485 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.125 0 CA-C-O 120.792 0.33 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.37 131.68 18.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.7 mt -135.44 130.64 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.98 169.7 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -142.26 107.56 5.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.465 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 10.8 m-85 -100.42 120.8 40.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -83.52 139.45 32.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 83.3 mt -104.3 100.35 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.45 ' NZ ' ' OE2' ' A' ' 85' ' ' GLU . 32.1 mtmt -98.12 171.13 8.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.448 ' CE ' ' CH2' ' A' ' 81' ' ' TRP . 14.7 ttmt -123.57 137.8 54.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.443 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -91.8 -177.69 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -55.66 -31.94 62.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -80.48 15.81 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 49.31 40.65 30.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.443 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 79.2 mt-30 -113.44 142.38 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.448 ' CH2' ' CE ' ' A' ' 75' ' ' LYS . 69.1 m95 -80.81 138.74 36.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 17.9 p90 -152.72 150.06 29.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 71.9 t -116.69 -51.26 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.7 -3.24 37.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.508 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.5 mt-10 65.18 25.09 12.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -133.23 -32.7 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -117.4 117.26 29.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.11 137.37 46.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.048 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CZ ' ' CD1' ' A' ' 98' ' ' TYR . 42.9 m-85 -112.65 -175.34 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.8 -16.7 13.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -139.04 145.97 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.695 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 18.5 mm -59.83 -47.04 98.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.676 0.75 . . . . 0.0 111.182 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.695 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.1 Cg_endo -69.82 -0.89 7.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.612 2.208 . . . . 0.0 112.375 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.4 -47.61 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.413 HD22 ' C ' ' A' ' 95' ' ' LEU . 2.5 tt -52.56 -33.06 44.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 19.9 mm -90.75 -21.04 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -53.05 -48.79 67.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 99' ' ' HIS . 1.9 p90 -76.85 -45.13 29.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.511 ' N ' ' CG ' ' A' ' 98' ' ' TYR . 4.5 t-80 -41.64 -53.42 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -45.8 -36.15 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -79.71 -50.13 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.943 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.41 104.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 111' ' ' ARG . 3.5 ptm85 -124.08 -28.67 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.554 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 10.4 m-85 -112.11 90.64 14.09 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.7 0.762 . . . . 0.0 110.884 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.444 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 53.9 Cg_endo -69.87 79.77 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.641 2.228 . . . . 0.0 112.36 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.9 t -37.95 126.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.24 142.67 37.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.421 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.4 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.573 ' CB ' ' CD2' ' A' ' 19' ' ' TYR . 13.2 mt -107.66 -38.72 5.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -45.86 -36.45 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 16' ' ' TYR . 37.3 pt -53.95 -35.64 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.541 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 47.3 m-85 -78.26 -177.79 5.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -116.66 -31.26 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 11.3 p-90 -70.39 -1.36 10.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.573 ' CD2' ' CB ' ' A' ' 13' ' ' LEU . 12.8 t80 -101.59 88.39 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.462 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . 17.5 m-70 -85.48 91.08 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -87.57 -35.66 17.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.474 ' N ' ' HG2' ' A' ' 21' ' ' ARG . 47.6 t-20 -89.37 60.85 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.462 ' CG2' ' HB3' ' A' ' 20' ' ' HIS . 9.3 pt -148.34 175.3 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.478 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.5 t -131.6 156.52 45.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.4 tpp85 -32.17 -50.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -55.48 -48.63 74.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' THR . 12.6 mm100 -56.91 -56.95 15.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -38.62 -46.87 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -74.68 -50.63 16.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' LEU . 75.2 t60 -53.31 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 30' ' ' HIS . 26.6 mt -35.37 -48.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.98 -46.49 74.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -44.62 -42.43 7.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -59.07 -38.48 79.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.84 -50.87 38.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.454 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 32.7 m 50.4 54.48 11.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.579 ' HE3' ' CD2' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -160.86 112.46 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.4 OUTLIER -33.74 136.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.464 ' HA3' ' CG ' ' A' ' 111' ' ' ARG . . . 119.09 -46.43 1.13 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.93 119.31 1.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 9.6 p90 -138.92 165.13 27.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.464 ' CG2' ' O ' ' A' ' 41' ' ' PHE . 12.8 pt -164.0 167.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.0 t -126.52 105.2 13.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.468 ' NH2' ' ND1' ' A' ' 70' ' ' HIS . 37.0 ptt180 -96.95 159.35 14.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -94.08 121.88 36.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.4 m -71.71 74.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' SER . 11.0 tpp180 -34.65 -36.72 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -48.79 -55.34 11.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.5 tp -133.37 173.98 10.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.58 45.97 1.62 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.551 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.6 m -123.77 -177.14 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.398 . . . . 0.0 110.778 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -131.56 163.58 27.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.933 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.1 m -144.27 135.92 25.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.214 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.3 mt -97.99 139.57 19.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.1 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.5 m -124.39 102.25 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 17.8 t -102.17 154.2 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.559 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 48.7 t80 -102.31 114.38 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.0 mmt -78.28 -40.28 37.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.559 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.792 0.329 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.04 132.41 13.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.5 mt -138.19 130.39 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -101.83 169.21 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.468 ' ND1' ' NH2' ' A' ' 44' ' ' ARG . 94.8 m-70 -139.61 107.96 5.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.789 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.465 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 7.9 m-85 -103.85 114.8 29.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -82.92 128.11 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.7 mt -88.74 103.96 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -98.17 176.51 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.583 ' CE ' ' CH2' ' A' ' 81' ' ' TRP . 23.9 ttmt -124.9 139.4 53.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.46 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -93.11 -176.76 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -32.3 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.51 13.66 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 51.91 40.37 49.94 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.46 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 87.5 mt-30 -113.19 142.48 45.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.583 ' CH2' ' CE ' ' A' ' 75' ' ' LYS . 45.6 m95 -80.43 124.36 28.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 p90 -143.73 154.36 43.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.98 0.419 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 99.0 t -123.3 -46.79 2.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.156 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 86' ' ' ARG . . . -87.08 20.0 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 84' ' ' ALA . 3.1 pt-20 34.29 31.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 84' ' ' ALA . 22.3 mmt85 -132.62 -24.97 1.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -136.85 112.22 9.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -104.14 149.61 25.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 23.1 m-85 -125.12 -176.18 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -105.85 -24.04 12.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 m -134.2 147.16 50.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.703 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.7 mm -58.12 -47.64 98.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 111.188 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.703 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.3 Cg_endo -69.77 -0.63 7.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.621 2.214 . . . . 0.0 112.358 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -98.19 -41.21 8.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.57 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.1 tt -56.38 -34.63 66.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.24 -15.95 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -58.16 -44.44 87.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 99' ' ' HIS . 6.5 m-85 -89.13 -50.35 6.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 95' ' ' LEU . 6.6 m-70 -38.27 -38.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.479 ' O ' ' NE ' ' A' ' 109' ' ' ARG . 27.4 mt-30 -57.9 -51.96 67.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -66.77 -46.27 75.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.911 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.479 ' NE ' ' O ' ' A' ' 100' ' ' GLN . 14.2 ttp180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.56 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 24.1 mt -72.58 118.46 15.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.464 ' CG ' ' HA3' ' A' ' 39' ' ' GLY . 3.4 ptp180 -119.31 -40.04 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.579 ' CD2' ' HE3' ' A' ' 37' ' ' LYS . 14.6 m-85 -108.94 88.32 5.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.696 0.76 . . . . 0.0 110.924 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.555 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.74 79.29 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.45 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 85.3 t -37.96 129.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.58 157.81 40.55 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.406 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.5 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 25.9 mt -108.89 -28.47 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -47.96 -38.28 16.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 16' ' ' TYR . 18.8 pt -49.35 -31.16 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.169 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.463 ' N ' HG13 ' A' ' 15' ' ' ILE . 58.0 m-85 -84.76 -178.5 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.62 -32.82 5.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.425 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 11.7 p-90 -71.15 0.73 7.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 11.0 t80 -102.05 81.98 2.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.42 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 38.0 m-70 -76.51 94.84 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -93.28 164.33 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.3 t30 62.3 39.81 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.5 pt -131.15 176.21 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.5 t -132.92 167.59 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -39.48 -51.66 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -53.39 -52.55 58.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -53.77 -59.68 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.456 ' CB ' HD13 ' A' ' 42' ' ' ILE . . . -45.2 -63.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -53.56 -58.13 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.46 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 2.5 t-160 -41.42 -60.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.0 mt -41.71 -43.24 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.21 -51.97 46.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -41.37 -46.43 3.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -57.93 -43.98 86.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.23 -39.53 93.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.417 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 68.2 p 43.71 45.98 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.551 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 8.2 ptpt -152.19 139.17 19.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -61.74 130.98 48.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.04 -41.47 1.78 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.33 106.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 111.06 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 2.4 p90 -127.56 165.24 20.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.79 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.456 HD13 ' CB ' ' A' ' 28' ' ' ALA . 14.0 pt -160.3 162.71 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.1 t -124.25 104.04 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -94.62 169.62 10.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.49 107.89 19.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.403 ' OG ' ' C ' ' A' ' 51' ' ' SER . 15.2 m -39.74 139.65 0.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -89.39 -41.18 12.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.6 p80 -57.31 -35.3 69.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 11.3 mt -157.12 -175.69 5.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.18 42.65 2.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.403 ' C ' ' OG ' ' A' ' 46' ' ' SER . 3.3 m -99.0 175.63 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -132.62 140.89 48.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 54' ' ' ILE . 85.4 m -128.51 140.78 51.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.175 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.452 ' N ' HG22 ' A' ' 53' ' ' THR . 13.1 mt -105.33 125.77 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.3 m -109.98 98.27 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.2 t -98.6 149.88 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 36' ' ' SER . 40.9 t80 -98.63 143.53 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.3 mmt -103.42 -60.02 1.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.413 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.53 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.779 0.324 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.81 113.42 25.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.076 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.8 mt -117.85 133.16 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -101.47 161.1 13.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -136.2 105.21 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.434 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 14.3 m-85 -100.65 112.32 24.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -85.69 126.82 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.4 mt -86.32 103.6 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 1.1 mppt? -96.9 169.8 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.4 ' CE ' ' CZ2' ' A' ' 81' ' ' TRP . 7.7 ttmm -118.59 136.08 54.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -90.56 -175.75 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 79' ' ' GLY . 30.8 t0 -59.8 -30.88 69.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 m -80.26 19.89 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . 46.11 44.71 14.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.416 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 59.1 mt-30 -120.07 142.48 48.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.756 0.313 . . . . 0.0 110.983 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.503 ' CG ' HD13 ' A' ' 92' ' ' ILE . 70.2 m95 -79.98 132.54 36.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.9 p90 -148.09 158.45 44.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.003 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.434 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 77.4 t -119.55 -45.53 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' ARG . . . -95.33 22.1 7.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 84' ' ' ALA . 3.9 pt-20 36.58 28.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' ALA . 15.3 mmt180 -129.86 -24.91 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -133.26 99.87 4.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.6 150.53 21.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 39.0 m-85 -123.58 -174.7 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -104.54 -25.85 12.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.435 ' HB2' ' CD ' ' A' ' 94' ' ' GLU . 2.3 m -139.22 154.83 48.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.709 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 20.1 mm -59.51 -46.74 98.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.658 0.742 . . . . 0.0 111.174 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.709 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.79 -4.12 13.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.621 2.214 . . . . 0.0 112.383 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.435 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.2 OUTLIER -94.83 -37.91 11.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.4 tt -59.81 -36.14 76.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 19.3 mm -87.93 -15.94 9.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.117 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -56.63 -41.85 77.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -94.44 -49.79 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -41.81 -36.83 1.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -52.73 -57.0 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -74.39 -48.92 24.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.7 ptt85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.845 0.355 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.559 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 26.7 mt -52.05 108.1 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 112' ' ' TYR . 14.0 ptm180 -111.44 -46.3 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.551 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 14.1 m-85 -107.82 87.05 3.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.851 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.77 84.62 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.64 2.227 . . . . 0.0 112.422 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 113' ' ' PRO . 95.3 t -34.06 128.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -78.21 161.58 48.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.42 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 14.6 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 p30 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 49.6 mt -106.91 -33.28 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -46.96 -39.38 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 16' ' ' TYR . 23.4 pt -48.49 -32.83 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 62.9 m-85 -76.34 178.63 6.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -113.95 -33.41 5.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.2 p-90 -73.69 3.32 6.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 14.0 t80 -105.26 81.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.457 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . 49.1 m-70 -78.23 88.54 4.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 10.2 ptm180 -85.1 -40.85 16.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -83.51 58.94 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 20' ' ' HIS . 8.9 pt -146.26 174.43 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.9 t -131.42 164.81 24.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' THR . 6.6 tpp180 -36.74 -50.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.75 -57.37 12.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -48.44 -57.38 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -38.73 -51.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -69.89 -55.68 9.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' LEU . 18.6 t60 -48.9 -63.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' HIS . 53.8 mt -34.6 -52.56 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.8 mt -65.12 -51.69 59.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -44.34 -51.98 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -45.97 -47.58 16.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.42 -42.41 92.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p 47.63 52.52 12.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.47 ' HD2' ' CD1' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -148.75 122.29 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -45.93 124.24 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.85 -39.33 2.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.589 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' N ' ' HB2' ' A' ' 112' ' ' TYR . . . -41.91 108.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 10.9 p90 -126.57 155.84 41.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.418 ' CG1' ' HB3' ' A' ' 55' ' ' SER . 11.1 pt -156.03 157.33 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.15 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.1 t -118.06 103.27 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -97.8 162.61 13.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.77 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -98.5 134.7 41.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.2 m -81.97 74.12 8.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 46' ' ' SER . 26.8 ttp180 -35.09 -34.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -50.31 -54.35 22.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -134.81 175.68 9.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.05 46.33 1.8 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -120.34 -177.35 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.369 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -129.37 167.81 17.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.961 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.419 HG21 ' N ' ' A' ' 54' ' ' ILE . 48.8 m -148.45 149.98 32.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 55' ' ' SER . 33.1 mt -117.72 138.41 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.45 ' N ' HG22 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -119.38 110.6 17.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 57' ' ' PHE . 23.0 t -111.88 146.49 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.506 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 45.6 t80 -94.4 103.6 15.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.35 -50.52 59.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.491 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.506 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.767 0.317 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -131.21 130.11 42.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.9 mt -134.08 128.31 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -105.42 162.54 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.992 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -133.2 105.03 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.454 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 11.8 m-85 -97.48 113.75 25.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -77.58 136.04 38.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.1 mt -96.78 105.21 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.247 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -100.1 170.69 8.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.433 ' HD2' ' C ' ' A' ' 79' ' ' GLY . 24.1 ttpp -127.71 121.65 30.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -66.01 -173.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -78.04 12.71 1.69 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -116.9 17.79 14.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.433 ' C ' ' HD2' ' A' ' 75' ' ' LYS . . . 57.6 32.65 65.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.464 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -119.28 134.37 55.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.441 ' CG ' HD13 ' A' ' 92' ' ' ILE . 60.3 m95 -79.62 150.08 31.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.567 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 4.2 p90 -160.45 143.93 13.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 71.3 t -105.25 -54.73 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.8 11.29 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.171 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 17.5 tt0 48.42 26.85 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -131.32 -31.99 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -121.38 103.0 8.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -95.28 145.16 25.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.56 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 65.5 m-85 -119.01 -175.57 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -103.12 -21.87 13.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.4 m -143.04 153.39 42.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.697 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 16.9 mm -60.0 -47.99 95.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.714 0.769 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.697 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.0 Cg_endo -69.84 2.96 3.1 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.55 -43.06 6.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.56 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 1.8 tt -55.06 -34.89 63.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 24.7 mm -87.75 -21.51 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -52.35 -46.23 66.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' HIS . 7.9 m-85 -90.8 -53.39 4.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' TYR . 1.1 m80 -36.91 -42.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -40.26 -52.68 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -88.74 -40.16 13.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.574 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 14.5 mt -82.83 103.67 12.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -121.63 -31.5 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.47 ' CD1' ' HD2' ' A' ' 37' ' ' LYS . 26.0 m-85 -108.05 82.41 1.49 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.687 0.756 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.572 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 54.7 Cg_endo -69.78 79.96 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.413 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.3 t -47.35 115.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -89.58 152.24 22.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.448 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 10.2 mp . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.793 0.33 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.859 0.361 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 38.7 mt -115.65 -36.73 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -45.51 -38.3 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 16' ' ' TYR . 37.6 pt -49.15 -35.69 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.473 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 38.2 m-85 -84.47 172.85 11.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 17' ' ' GLU . 15.3 pm0 -106.97 -32.43 7.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.473 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 13.9 p-90 -67.67 -3.18 8.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.521 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 8.2 t80 -99.61 77.6 2.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -67.88 116.46 8.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.69 149.52 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.0 t30 74.74 44.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.8 pt -134.26 -179.4 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.149 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' ARG . 11.9 t -135.57 167.78 20.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' THR . 8.6 tpp85 -38.0 -54.89 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.792 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -50.11 -52.59 33.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -54.25 -56.51 17.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.58 -61.28 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.01 -60.65 3.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' LEU . 86.2 t60 -42.29 -64.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' HIS . 27.9 mt -35.25 -52.85 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.9 mt -57.68 -54.06 51.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -41.11 -53.26 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.2 -44.87 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -77.17 -41.81 40.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m 43.78 46.67 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.7 pttm -140.89 116.73 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' LYS . 9.2 tt0 -36.56 115.96 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.48 -37.13 1.99 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.78 111.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 110' ' ' LEU . 3.2 p90 -135.5 157.48 46.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.471 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 25.6 pt -156.45 158.81 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.2 t -122.96 110.81 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -104.97 159.16 16.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -85.48 143.96 28.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 48' ' ' HIS . 4.0 m -92.16 82.71 5.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' SER . 3.4 mtp85 -35.94 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.595 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -58.5 -53.84 53.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.595 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -148.27 -174.97 4.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.8 42.79 1.34 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.465 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 49' ' ' LEU . 4.6 p -107.26 -177.53 3.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.931 0.396 . . . . 0.0 110.919 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -149.83 141.54 23.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -124.28 131.42 53.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.3 mt -94.62 139.33 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 m -119.19 98.29 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.4 t -101.73 145.16 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.187 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -92.66 117.85 30.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 mmt -86.35 -54.53 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.399 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 -179.934 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.762 0.315 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.53 131.46 56.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.9 mt -135.7 132.88 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.4 174.08 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -143.54 106.6 4.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -100.45 113.75 26.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -82.38 136.65 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.5 mt -95.38 106.57 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.179 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -98.4 174.41 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -121.5 139.59 53.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 29.2 p30 -86.9 -176.26 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -66.88 -31.01 71.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -83.56 17.46 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.77 48.29 79.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.437 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 54.0 mt-30 -121.92 146.35 47.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.474 ' CD2' HD11 ' A' ' 92' ' ' ILE . 93.0 m95 -85.48 136.61 33.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -155.57 157.29 36.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 83.8 t -130.91 -45.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.64 -7.04 58.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.81 25.07 9.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -133.43 -32.08 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -120.5 113.72 20.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -104.49 143.98 32.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 75.5 m-85 -122.37 -175.64 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -112.83 -21.48 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 m -133.61 148.95 51.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.698 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 19.3 mm -59.22 -47.71 97.75 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.686 0.755 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.698 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.2 Cg_endo -69.8 -5.87 17.26 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.661 2.241 . . . . 0.0 112.394 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -92.8 -39.13 11.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 2.8 tt -58.44 -36.66 73.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.401 HG23 ' CD1' ' A' ' 110' ' ' LEU . 20.2 mm -87.92 -17.5 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.3 t-105 -55.19 -46.59 75.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 99' ' ' HIS . 11.9 m-85 -88.21 -54.36 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 98' ' ' TYR . 6.0 m-70 -36.11 -36.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.83 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -43.8 -54.43 5.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -89.6 -47.81 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.879 0.371 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 41' ' ' PHE . 23.4 mt -50.01 115.68 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -126.52 -39.5 2.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -107.0 85.15 1.81 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.669 0.747 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.76 83.31 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.718 2.279 . . . . 0.0 112.343 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 72.3 t -33.96 124.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.15 156.82 47.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.938 -179.904 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.885 0.374 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.437 ' HB3' ' CD2' ' A' ' 19' ' ' TYR . 95.4 mt -106.4 -38.96 6.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -44.66 -38.98 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.509 HD12 ' CZ ' ' A' ' 16' ' ' TYR . 44.0 pt -47.62 -37.03 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.509 ' CZ ' HD12 ' A' ' 15' ' ' ILE . 13.6 m-85 -80.03 170.22 16.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' HB2' ' CA ' ' A' ' 115' ' ' GLY . 1.3 pm0 -105.08 -33.63 8.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.501 ' CZ3' HG23 ' A' ' 43' ' ' VAL . 20.4 p-90 -65.53 -16.05 63.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 21' ' ' ARG . 8.9 t80 -86.05 76.21 9.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.434 ' CE1' HD23 ' A' ' 31' ' ' LEU . 26.1 m-70 -73.26 100.7 3.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 19' ' ' TYR . 21.3 ptt-85 -100.13 163.94 12.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.461 ' ND2' ' HG3' ' A' ' 21' ' ' ARG . 3.0 m-20 62.34 41.49 10.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.423 ' HB ' ' CB ' ' A' ' 27' ' ' GLN . 18.9 pt -128.51 177.12 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ARG . 10.5 t -130.08 163.38 26.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.0 OUTLIER -34.45 -58.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.84 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -47.78 -51.11 23.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 15.3 mm100 -52.73 -60.77 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.451 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -39.15 -64.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.072 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -56.54 -52.43 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' LEU . 86.6 t60 -47.25 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.451 ' HA ' ' NE2' ' A' ' 34' ' ' GLN . 18.2 mt -34.48 -42.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD1' HG21 ' A' ' 68' ' ' ILE . 55.8 mt -67.34 -55.71 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 6.0 mmm180 -41.44 -48.41 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 31' ' ' LEU . 31.2 mt-30 -44.4 -42.71 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -78.69 -43.6 25.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t 50.4 50.57 18.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.578 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 15.4 ptpt -145.05 140.45 28.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -56.21 125.1 20.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' ALA . . . 122.02 -43.26 1.51 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.462 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . -36.3 109.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 111.154 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 5.8 p90 -133.31 160.31 37.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.463 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 27.5 pt -154.42 164.63 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.501 HG23 ' CZ3' ' A' ' 18' ' ' TRP . 95.4 t -123.53 102.85 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -99.18 165.42 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.24 138.41 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' HIS . 2.0 m -92.04 74.01 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' SER . 37.1 ttp85 -34.58 -36.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -50.28 -54.61 20.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.836 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.3 tp -135.23 172.99 12.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.5 45.29 1.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.1 m -123.17 -176.99 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -131.25 170.18 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.8 m -146.27 134.41 21.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.5 mt -100.34 130.58 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 m -113.43 101.0 8.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.9 t -100.14 150.19 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -97.14 102.7 14.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.439 ' HG3' ' CE ' ' A' ' 69' ' ' LYS . 5.6 mmt -69.23 -50.35 47.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.49 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.801 0.334 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.09 123.01 10.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.467 HG21 ' CD1' ' A' ' 32' ' ' LEU . 20.3 mt -130.01 137.43 56.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.439 ' CE ' ' HG3' ' A' ' 58' ' ' MET . 14.1 mptt -111.9 161.83 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -130.0 110.9 12.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.935 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -107.13 105.29 15.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.12 125.53 29.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 57.9 mt -83.35 113.41 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -99.8 177.66 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.834 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.409 ' CD ' ' HA2' ' A' ' 79' ' ' GLY . 1.0 OUTLIER -129.07 139.8 51.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.469 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -94.44 -176.84 4.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -56.54 -31.89 64.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -80.38 16.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.409 ' HA2' ' CD ' ' A' ' 75' ' ' LYS . . . 48.99 39.34 25.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.482 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.469 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 49.6 mt-30 -111.14 140.33 45.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.414 ' CG ' HD13 ' A' ' 92' ' ' ILE . 75.1 m95 -79.86 140.07 36.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.567 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 5.1 p90 -153.67 154.31 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.449 ' CG2' HD11 ' A' ' 95' ' ' LEU . 92.3 t -112.66 -58.32 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.99 -5.22 33.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.3 mt-10 68.33 25.02 7.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.49 ' HA ' ' CZ ' ' A' ' 86' ' ' ARG . 1.4 mmp_? -133.22 -33.09 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -112.91 104.6 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.38 136.5 36.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 77.4 m-85 -112.03 -174.98 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -103.69 -25.51 13.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -139.56 151.6 46.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.682 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.5 mm -59.25 -49.23 93.88 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.604 0.716 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.682 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.78 1.13 4.73 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 0.1 OUTLIER -99.84 -39.86 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.566 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.1 tt -56.05 -38.22 70.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.427 HG22 ' CD1' ' A' ' 110' ' ' LEU . 17.2 mm -81.69 -28.65 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.402 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.8 t-105 -44.09 -45.23 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -85.38 -43.17 13.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -43.09 -39.95 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -55.5 -43.96 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -79.18 -44.8 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.83 0.347 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.567 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 16.9 mt -45.96 121.05 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -116.09 -59.16 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 13.0 m-85 -102.35 96.77 7.61 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.659 0.742 . . . . 0.0 110.937 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 112' ' ' TYR . 53.9 Cg_endo -69.7 79.16 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 90.4 t -38.38 112.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.446 ' CA ' ' HB2' ' A' ' 17' ' ' GLU . . . -102.86 154.95 18.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.508 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.415 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 10.3 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.892 0.377 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.0 mt -120.93 -27.96 4.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -48.97 -39.22 25.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 16' ' ' TYR . 22.2 pt -52.34 -29.31 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.065 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 41.2 m-85 -80.14 166.99 20.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.56 -32.32 8.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.4 p-90 -75.43 5.87 5.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.41 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 11.7 t80 -104.3 75.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -74.98 102.64 4.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -99.79 157.67 16.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.03 43.58 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 44' ' ' ARG . 16.1 pt -131.11 173.79 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.5 t -133.57 169.24 17.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -41.67 -46.51 3.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -57.22 -49.97 74.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -57.41 -55.16 38.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.52 -59.75 3.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -53.74 -57.19 11.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' LEU . 61.0 t60 -53.56 -66.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' HIS . 23.0 mt -34.25 -54.16 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 mt -54.37 -52.55 61.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -48.19 -26.63 2.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 18.7 mm-40 -57.67 -36.07 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -88.5 -40.54 13.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.2 p 51.85 46.74 26.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.467 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 3.5 ptpt -146.98 127.96 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -44.05 136.53 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.41 -34.32 5.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.58 108.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.363 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' A' ' 113' ' ' PRO . 16.0 p90 -132.82 162.56 31.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.456 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 16.8 pt -160.52 156.77 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.3 t -116.68 114.43 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.195 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.401 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 18.7 ptt85 -111.1 162.95 14.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.81 137.91 31.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.4 m -74.03 139.08 44.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -81.59 -46.05 14.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.41 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.5 p80 -50.71 -38.87 49.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.497 HD22 ' N ' ' A' ' 50' ' ' GLY . 0.8 OUTLIER -156.18 176.59 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.497 ' N ' HD22 ' A' ' 49' ' ' LEU . . . -74.11 45.33 1.41 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.13 -177.4 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.863 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.558 ' CD2' HD11 ' A' ' 92' ' ' ILE . 58.8 m-85 -130.01 153.69 48.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.4 m -145.29 134.75 23.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.1 mt -102.69 131.33 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.3 m -114.16 102.37 10.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 57' ' ' PHE . 33.2 t -101.5 148.02 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.522 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 55.6 t80 -99.8 110.36 22.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mmt -69.09 -54.19 16.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.522 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.788 0.328 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.4 133.72 51.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.05 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.8 mt -135.2 126.21 45.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 11.9 mptt -101.31 167.19 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -139.22 107.2 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.503 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 2.3 m-85 -100.2 104.87 16.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -74.93 124.9 27.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.414 HG12 ' CG1' ' A' ' 83' ' ' VAL . 19.0 mt -85.58 101.9 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.071 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 1.1 mppt? -96.41 172.38 7.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -125.07 139.03 54.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.459 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -97.56 -177.12 3.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.54 -31.34 64.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -80.79 18.47 0.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 47.1 41.26 14.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.438 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.459 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 60.0 mt-30 -112.32 137.72 50.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.931 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.407 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 85.4 m95 -82.43 132.91 35.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.472 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.8 p90 -151.88 155.61 38.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.414 ' CG1' HG12 ' A' ' 73' ' ' ILE . 5.1 m -125.3 -43.58 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.12 -2.33 36.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.435 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.3 mt-10 59.08 25.0 13.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -132.97 -32.34 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -120.74 114.58 21.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -105.84 135.93 46.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.563 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 54.5 m-85 -110.82 -175.84 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -104.05 -27.9 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.0 m -135.95 155.58 50.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.673 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.2 mm -60.44 -48.91 92.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.074 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.9 Cg_endo -69.71 2.58 3.38 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -99.35 -42.77 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.563 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 1.3 tt -55.49 -34.68 64.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.454 HG21 ' CD1' ' A' ' 110' ' ' LEU . 7.0 mm -88.81 -19.47 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.061 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -54.46 -47.4 72.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -84.22 -49.84 8.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -40.64 -39.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -56.15 -41.38 75.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -82.9 -55.28 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.6 ptt85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.855 0.359 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.454 ' CD1' HG21 ' A' ' 96' ' ' ILE . 53.0 mt -44.81 134.62 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.466 ' HG3' ' CD2' ' A' ' 112' ' ' TYR . 0.7 OUTLIER -134.98 -50.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.467 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 11.1 m-85 -105.53 90.17 3.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.685 0.755 . . . . 0.0 110.856 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.55 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.86 79.6 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.66 2.24 . . . . 0.0 112.293 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.456 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 69.7 t -48.16 123.36 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.56 -179.16 33.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.82 0.343 . . . . 0.0 110.945 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.811 0.339 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 6.5 mt -72.19 -20.73 61.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -47.1 -36.16 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 16' ' ' TYR . 31.5 pt -52.53 -33.23 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.461 ' N ' HG13 ' A' ' 15' ' ' ILE . 63.4 m-85 -77.49 -178.21 5.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.84 -36.42 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -68.11 -2.29 7.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.575 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 5.5 t80 -97.23 89.42 4.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.412 ' CD2' HG21 ' A' ' 42' ' ' ILE . 42.5 m-70 -82.44 106.49 14.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 7.2 ptm180 -109.02 155.2 21.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 73.26 40.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.0 pt -133.08 178.2 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.4 t -133.81 164.58 26.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 24' ' ' THR . 20.4 ttt180 -36.54 -53.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -51.01 -51.0 57.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -57.34 -57.99 10.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.41 -48.9 3.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -69.08 -57.4 5.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 2.6 t-160 -45.98 -60.05 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.6 mt -41.01 -47.22 3.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.485 ' CD1' HG22 ' A' ' 68' ' ' ILE . 6.6 mt -66.77 -46.1 76.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -43.2 -43.11 4.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -56.51 -44.26 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.78 -54.17 45.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.569 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 45.9 p 52.82 52.17 14.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.55 119.29 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.441 ' O ' ' NE ' ' A' ' 111' ' ' ARG . 20.9 tt0 -43.23 117.97 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.69 -36.3 2.09 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.39 113.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 113' ' ' PRO . 6.4 p90 -133.44 155.31 49.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.412 HG21 ' CD2' ' A' ' 20' ' ' HIS . 16.2 pt -150.62 164.78 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.7 t -122.59 105.78 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 44' ' ' ARG . 1.6 ptm85 -101.98 161.62 13.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.4 OUTLIER -93.59 142.14 27.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' HIS . 2.5 m -92.45 76.09 5.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -35.26 -32.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -53.05 -52.7 57.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.55 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 1.2 tp -137.86 177.17 8.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.42 45.7 1.83 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.8 m -124.78 -177.72 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.371 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -133.29 170.54 15.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.937 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 54' ' ' ILE . 24.7 m -146.43 146.12 30.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.419 ' N ' HG23 ' A' ' 53' ' ' THR . 38.7 mt -105.5 140.59 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -124.31 100.81 6.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG11 ' N ' ' A' ' 57' ' ' PHE . 19.7 t -102.63 147.95 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 36' ' ' SER . 44.2 t80 -95.31 96.43 9.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.816 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.0 mmt -59.33 -50.46 73.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.467 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.439 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.461 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.762 0.315 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.58 124.15 41.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.485 HG22 ' CD1' ' A' ' 32' ' ' LEU . 16.7 mt -130.52 128.14 63.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -102.02 155.64 18.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -125.88 106.24 9.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -98.6 103.53 15.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -74.72 119.54 19.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.2 mt -80.49 99.92 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -97.79 178.07 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -113.21 130.93 56.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.506 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -82.47 -174.88 5.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.412 ' C ' ' H ' ' A' ' 79' ' ' GLY . 88.9 m-20 -61.28 -31.11 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 m -77.31 13.69 1.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . 54.53 34.44 55.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.474 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.507 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 6.2 mm100 -119.96 159.62 24.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.726 0.298 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -81.02 144.57 31.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.493 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 16.3 p90 -158.85 155.21 27.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -125.4 -53.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.26 2.32 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.493 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 2.2 mt-10 57.48 26.31 12.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -134.95 -32.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -123.87 129.9 51.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.801 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.449 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -117.92 168.92 10.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 25.2 m-85 -144.88 170.02 16.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.798 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.491 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 44.4 mt-30 -94.55 -17.29 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -137.86 147.29 44.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.689 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 13.1 mm -60.17 -48.06 95.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.622 0.725 . . . . 0.0 111.2 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.689 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.3 Cg_endo -69.92 0.73 5.34 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.627 2.218 . . . . 0.0 112.315 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -98.47 -39.95 8.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.6 tt -57.2 -35.34 69.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 8.8 mm -87.56 -20.52 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -52.93 -44.88 67.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.988 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -85.81 -52.15 5.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 95' ' ' LEU . 7.8 m-70 -38.84 -34.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -54.15 -53.62 50.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -74.72 -54.82 6.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.9 p30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 110' ' ' LEU . 10.5 ttp180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.511 HD12 ' CE2' ' A' ' 41' ' ' PHE . 46.9 mt -32.52 109.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.441 ' NE ' ' O ' ' A' ' 38' ' ' GLU . 16.1 ptt180 -122.71 -32.01 3.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -109.19 83.68 2.47 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.683 0.754 . . . . 0.0 110.942 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.53 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.77 79.56 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.1 t -46.21 111.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.69 160.83 50.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.951 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.864 0.364 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.1 mt -116.5 -31.69 5.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -42.98 -40.88 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.517 HD12 ' CE1' ' A' ' 16' ' ' TYR . 37.0 pt -45.84 -39.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.517 ' CE1' HD12 ' A' ' 15' ' ' ILE . 23.2 m-85 -75.09 164.34 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -102.95 -29.28 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.437 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 17.2 p-90 -71.49 -10.66 60.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.498 ' CG ' ' O ' ' A' ' 19' ' ' TYR . 3.8 t80 -87.93 74.49 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.561 ' CE1' HG11 ' A' ' 114' ' ' VAL . 11.4 m-70 -70.14 110.89 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.62 156.99 22.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.0 t30 69.79 39.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.4 pt -129.82 176.99 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 25' ' ' ARG . 13.7 t -131.67 162.13 31.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.5 tpp85 -35.72 -52.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -53.03 -51.72 60.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -55.5 -53.58 54.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.08 -58.38 4.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -62.95 -60.46 3.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.457 ' CD2' HE21 ' A' ' 34' ' ' GLN . 82.1 t60 -44.08 -63.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' HIS . 53.2 mt -35.41 -50.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.7 mt -58.59 -51.21 70.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -41.42 -43.98 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.457 HE21 ' CD2' ' A' ' 30' ' ' HIS . 38.0 mt-30 -51.67 -40.44 60.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.43 ' HB3' ' NZ ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -73.51 -47.66 39.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 6.1 m 52.91 47.24 25.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.565 ' HD2' ' CD1' ' A' ' 112' ' ' TYR . 7.3 ptpp? -144.24 153.25 41.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -76.81 115.13 16.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.52 -33.59 2.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.53 132.04 25.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 111.058 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 9.4 p90 -153.58 158.77 41.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.2 pt -158.16 156.8 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.1 t -120.2 108.5 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -98.11 164.29 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.53 134.65 40.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' LEU . 73.1 m -72.3 135.17 45.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -79.2 -45.68 19.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.3 p80 -52.83 -39.44 62.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 6.4 tp -154.88 178.06 10.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.53 45.68 1.57 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.57 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 m -95.63 179.58 5.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.908 0.385 . . . . 0.0 110.82 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.429 ' HB2' ' CD1' ' A' ' 73' ' ' ILE . 41.0 m-85 -140.18 139.06 35.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.1 m -130.02 129.31 43.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.7 mt -92.44 146.53 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.206 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.2 m -132.11 100.42 5.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.9 t -99.34 150.92 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 28.8 t80 -98.66 120.82 39.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.408 ' CG ' ' HD3' ' A' ' 69' ' ' LYS . 10.8 mmt -89.56 -49.75 6.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.406 ' CA ' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.524 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.83 0.348 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -120.71 134.47 55.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.5 mt -138.54 134.38 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.09 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 1.2 mptp? -101.72 164.54 11.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -138.11 105.03 5.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 4.7 m-85 -101.17 134.91 43.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -99.93 144.39 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 52' ' ' TYR . 65.8 mt -108.21 110.97 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -118.12 165.14 14.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -112.68 131.28 55.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -82.63 -177.94 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -58.36 -30.39 66.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -80.71 16.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 49.56 51.36 27.92 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.424 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 86.6 mt-30 -130.54 142.22 50.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -79.6 138.87 37.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.516 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 8.6 p90 -155.01 160.31 40.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 88.3 t -125.39 -50.17 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.1 1.79 20.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.516 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 2.3 mt-10 60.88 24.94 14.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -133.25 -32.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -115.32 116.67 28.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -106.78 142.11 36.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.523 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 54.3 m-85 -118.84 -175.67 2.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -110.02 -24.44 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 m -134.72 151.5 51.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.661 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 9.8 mm -59.73 -49.27 92.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.9 Cg_endo -69.71 -1.13 7.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -96.55 -38.98 9.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.523 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.3 tt -57.38 -38.17 73.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.43 HD13 ' CD2' ' A' ' 95' ' ' LEU . 17.0 mm -84.36 -24.92 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -47.07 -44.84 21.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.487 ' O ' ' N ' ' A' ' 100' ' ' GLN . 4.8 m-85 -86.67 -54.59 4.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 98' ' ' TYR . 0.7 OUTLIER -34.38 -33.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 98' ' ' TYR . 30.5 mt-30 -64.89 -53.9 39.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 98' ' ' TYR . 3.5 m170 -64.96 -47.3 78.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 9.2 mt -94.67 123.52 38.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -126.88 -23.9 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 37' ' ' LYS . 14.0 m-85 -110.87 84.35 4.21 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.656 0.741 . . . . 0.0 110.972 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.505 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 54.1 Cg_endo -69.73 79.75 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.615 2.21 . . . . 0.0 112.325 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.561 HG11 ' CE1' ' A' ' 20' ' ' HIS . 69.4 t -37.93 121.62 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.76 163.4 40.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.778 0.323 . . . . 0.0 110.935 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.9 t30 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.554 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 35.0 mt -110.69 -26.36 9.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -45.49 -41.44 9.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.438 HG13 ' N ' ' A' ' 16' ' ' TYR . 45.3 pt -49.19 -35.48 8.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.039 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.544 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 44.3 m-85 -74.35 167.97 20.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -105.55 -30.31 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.41 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 10.0 p-90 -75.28 4.91 6.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.554 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 12.8 t80 -108.24 78.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 23.8 m-70 -77.45 90.33 3.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.804 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 4.5 ptm180 -84.09 -39.08 19.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 49.7 t-20 -83.51 59.41 5.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' A' ' 20' ' ' HIS . 8.1 pt -150.06 176.59 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 25' ' ' ARG . 13.6 t -133.62 165.67 24.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 24' ' ' THR . 10.3 ttp-105 -33.66 -58.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -50.39 -62.57 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -41.27 -53.59 3.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.38 -63.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -58.91 -59.57 5.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' LEU . 4.5 t60 -43.7 -65.67 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' HIS . 71.0 mt -34.73 -52.03 0.51 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 35' ' ' GLU . 80.3 mt -59.32 -51.35 70.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -39.38 -48.96 1.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -54.4 -39.09 66.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' LEU . 4.8 mm-40 -67.45 -47.73 69.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 9.8 t 46.28 54.66 8.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.461 ' CD ' ' CD2' ' A' ' 112' ' ' TYR . 10.1 ptpt -155.23 123.39 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -45.71 121.55 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.42 -40.89 1.68 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.19 106.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 6.5 p90 -130.97 164.02 26.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.8 pt -161.51 160.56 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.075 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.1 t -120.33 105.45 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.3 ptt85 -100.39 166.24 11.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.47 152.13 22.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' HIS . 28.4 m -89.36 85.01 6.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' SER . 6.0 mmm180 -35.89 -30.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -64.12 -63.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.509 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 12.6 mt -135.56 -174.86 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.04 49.0 2.12 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.4 t -108.61 -178.66 3.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.382 . . . . 0.0 110.816 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -134.79 144.48 47.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.938 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.0 m -133.83 139.82 46.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.3 mt -107.24 143.37 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 m -125.4 100.36 6.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 57' ' ' PHE . 19.8 t -95.22 136.21 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 50.3 t80 -85.19 94.24 8.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ALA . 4.8 mtt -65.42 -48.18 73.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.466 ' N ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.224 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.772 0.32 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.466 ' HB3' ' N ' ' A' ' 59' ' ' GLY . . . -125.2 123.45 39.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.6 mt -132.79 126.86 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -103.04 158.8 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.805 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -124.4 110.39 14.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 6.7 m-85 -104.29 116.66 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -84.43 120.08 25.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 80.2 mt -77.51 100.05 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.189 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -97.3 177.51 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -117.12 131.59 56.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.476 ' OD1' ' N ' ' A' ' 78' ' ' SER . 35.1 p30 -74.95 -174.97 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -67.48 -33.07 74.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.476 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 1.8 m -72.41 -10.04 59.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . 84.9 33.66 17.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.501 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 6.0 mm100 -117.75 158.96 23.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.773 0.32 . . . . 0.0 110.988 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.435 ' CD2' HD13 ' A' ' 92' ' ' ILE . 41.5 m95 -82.35 145.04 30.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -158.29 153.71 25.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.436 ' CG2' HD13 ' A' ' 95' ' ' LEU . 87.0 t -121.54 -51.73 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.06 15.61 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.05 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 44.72 28.5 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -133.35 -32.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -126.36 124.33 40.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.403 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -111.71 168.84 9.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 28.3 m-85 -143.26 170.38 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.484 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 37.5 mt-30 -94.96 -17.67 21.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -138.85 149.24 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.684 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 11.7 mm -60.3 -47.95 95.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.684 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.76 0.53 5.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -97.91 -39.75 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.0 tt -57.73 -35.85 71.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.3 mm -85.81 -21.21 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.062 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 20.5 t-105 -52.39 -52.38 53.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -85.31 -51.28 6.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -41.07 -38.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -39.8 -44.57 1.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -98.48 -37.65 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.561 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 7.1 mt -88.19 113.38 23.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.7 mtt-85 -114.54 -49.8 2.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.461 ' CD2' ' CD ' ' A' ' 37' ' ' LYS . 9.7 m-85 -104.59 93.32 5.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.66 0.743 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.71 80.47 0.86 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.371 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 113' ' ' PRO . 59.1 t -34.18 124.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.99 161.93 44.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.571 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.5 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 t -141.14 109.7 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.883 0.373 . . . . 0.0 110.934 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -134.43 121.83 21.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.71 -171.6 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -127.36 174.79 8.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 0.0 110.799 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -80.89 119.45 23.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.47 -176.24 22.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -85.24 147.54 26.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -82.4 152.19 26.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.49 -49.67 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 m -62.9 124.92 22.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -123.3 115.55 21.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 59.1 mt -113.93 -35.42 5.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -45.86 -35.01 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 16' ' ' TYR . 40.5 pt -53.67 -37.3 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.435 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 63.2 m-85 -73.92 -176.15 2.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -116.62 -39.53 3.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.403 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 12.4 p-90 -65.22 -5.29 6.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 16.6 t80 -96.69 82.94 3.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.483 ' CE1' HD13 ' A' ' 31' ' ' LEU . 24.5 m-70 -77.43 100.94 6.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -98.83 161.89 13.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m120 62.39 43.25 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.7 pt -131.7 174.75 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 25' ' ' ARG . 15.3 t -133.7 165.78 24.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' THR . 15.7 ttp180 -34.21 -58.81 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -47.22 -51.48 18.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 -55.53 -60.04 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.66 -62.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.86 -60.39 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -37.59 -54.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.483 HD13 ' CE1' ' A' ' 20' ' ' HIS . 42.3 mt -50.63 -50.41 54.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 HD11 ' CG2' ' A' ' 68' ' ' ILE . 52.4 mt -61.08 -46.87 88.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -46.26 -39.79 10.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -59.15 -44.59 92.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.502 ' OE2' ' CE ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -70.98 -45.58 63.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.539 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 43.1 p 43.14 48.38 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.566 ' HD2' ' CD1' ' A' ' 112' ' ' TYR . 11.8 pttt -146.69 123.16 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -40.36 119.76 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.61 -40.0 1.88 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.47 104.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.569 ' CE2' HD13 ' A' ' 110' ' ' LEU . 6.2 p90 -125.43 167.4 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.468 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 5.0 pt -159.81 175.19 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.7 t -140.02 123.53 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -130.71 173.78 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.87 155.92 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' HIS . 0.8 OUTLIER -93.86 93.82 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.2 tpm_? -37.45 -26.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.6 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -74.31 -54.01 8.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.6 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 10.4 tp -131.31 166.63 20.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -73.58 45.86 1.31 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -108.29 -177.04 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -133.41 137.09 45.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.456 HG22 ' N ' ' A' ' 54' ' ' ILE . 55.8 m -120.62 140.36 51.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.456 ' N ' HG22 ' A' ' 53' ' ' THR . 26.6 mt -100.53 125.0 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.12 108.54 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 29.0 t -110.23 155.54 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.539 ' CE2' ' HA ' ' A' ' 36' ' ' SER . 63.1 t80 -103.35 110.95 23.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' ALA . 7.0 mmt -81.88 -37.5 26.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.405 ' N ' ' HB1' ' A' ' 67' ' ' ALA . . . 70.31 135.33 0.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.38 177.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 111.079 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -79.43 -61.72 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 63' ' ' SER . 14.1 mmm180 -85.24 39.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 62' ' ' ARG . 63.9 m 34.95 42.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.0 m -108.11 -23.85 11.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.176 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -131.84 -175.14 3.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.16 150.25 37.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB1' ' N ' ' A' ' 59' ' ' GLY . . . -143.34 127.12 17.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.462 ' CG2' HD11 ' A' ' 32' ' ' LEU . 20.8 mt -132.49 127.03 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -102.12 163.29 12.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -134.11 104.74 6.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.801 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.471 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 17.9 m-85 -98.01 102.16 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.61 126.46 29.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.419 HG12 ' CG2' ' A' ' 83' ' ' VAL . 69.8 mt -87.32 109.29 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -99.76 174.92 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.432 ' CG ' ' HA2' ' A' ' 79' ' ' GLY . 23.3 ttpp -129.72 142.91 50.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.947 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -98.9 -178.72 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -31.92 61.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 m -79.6 14.06 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.432 ' HA2' ' CG ' ' A' ' 75' ' ' LYS . . . 50.66 42.73 45.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.527 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -116.38 135.92 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 110.929 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.439 ' CD2' HD12 ' A' ' 92' ' ' ILE . 72.1 m95 -80.07 138.7 37.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 3.9 p90 -150.14 142.68 24.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.974 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 77.9 t -108.02 -43.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.69 9.05 28.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.463 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 14.0 tt0 50.97 25.97 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -131.26 -32.19 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -120.27 109.81 15.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.63 138.67 36.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 72.2 m-85 -113.89 -176.1 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -106.82 -21.43 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -139.69 150.9 45.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.692 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 16.0 mm -58.63 -48.38 96.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.607 0.718 . . . . 0.0 111.087 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.692 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.65 -2.73 10.59 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.411 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -95.93 -37.06 10.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 2.5 tt -59.99 -37.56 80.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.3 mm -85.97 -17.93 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.0 t-105 -54.52 -44.26 72.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 99' ' ' HIS . 9.0 m-85 -87.33 -52.71 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 98' ' ' TYR . 6.6 m-70 -34.9 -47.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -47.49 -46.68 27.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 98' ' ' TYR . 7.3 m-70 -76.49 -36.83 57.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 103' ' ' ALA . 5.3 p30 -155.11 107.32 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 102' ' ' ASN . . . -36.21 -72.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 73.42 38.42 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 106' ' ' LEU . . . -178.16 62.65 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.545 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 105' ' ' GLY . 13.4 tp 33.77 40.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 110.951 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.443 ' HG2' ' N ' ' A' ' 108' ' ' THR . 21.3 ttm -131.26 150.32 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.443 ' N ' ' HG2' ' A' ' 107' ' ' MET . 14.0 t -66.09 144.28 56.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.5 ttm180 -71.95 99.72 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.569 HD13 ' CE2' ' A' ' 41' ' ' PHE . 23.5 mt -35.24 122.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -114.68 -52.52 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.566 ' CD1' ' HD2' ' A' ' 37' ' ' LYS . 27.9 m-85 -104.83 92.02 4.8 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.694 0.759 . . . . 0.0 110.993 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.529 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 53.9 Cg_endo -69.76 79.93 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.238 . . . . 0.0 112.349 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.468 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 66.0 t -47.94 113.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -101.49 162.74 17.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.458 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 10.0 mp -37.27 -58.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 0.0 110.924 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.6 ptp -72.04 89.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.59 161.33 31.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.558 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.5 t -65.14 -69.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.3 t -173.59 146.42 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -161.08 138.52 5.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 163.73 37.14 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.69 2.26 . . . . 0.0 112.403 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.9 p -105.17 145.53 30.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.3 t -49.82 167.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t 70.69 42.08 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.9 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 p -172.1 139.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.822 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.18 97.77 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.437 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -47.71 -51.9 20.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.405 . . . . 0.0 110.881 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -73.48 167.38 21.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.84 151.56 41.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -150.16 146.42 26.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -60.84 132.79 55.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.2 mt -48.63 -67.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.123 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.2 m -154.23 110.76 3.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -93.47 109.87 21.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.511 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 58.3 mt -109.26 -34.05 6.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -47.18 -35.14 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 16' ' ' TYR . 31.6 pt -51.23 -34.23 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.469 ' N ' HG13 ' A' ' 15' ' ' ILE . 62.9 m-85 -74.22 -174.94 2.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.87 -34.29 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.417 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 8.7 p-90 -73.92 3.32 6.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.511 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 18.5 t80 -106.91 87.99 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.935 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 23.2 m-70 -86.17 95.51 9.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 8.5 ptm180 -90.37 -43.5 10.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -75.78 54.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.456 HD11 ' CB ' ' A' ' 20' ' ' HIS . 7.2 pt -148.85 172.28 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 t -129.38 165.39 21.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -37.3 -50.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -55.53 -54.45 43.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -52.1 -57.04 10.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.41 -64.42 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -56.5 -59.13 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.463 ' CD2' ' NE2' ' A' ' 34' ' ' GLN . 44.1 t60 -43.33 -65.8 0.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' HIS . 74.1 mt -34.29 -54.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.56 -48.07 81.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' NE ' ' HB3' ' A' ' 66' ' ' ALA . 52.3 mmm-85 -47.54 -49.4 26.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.463 ' NE2' ' CD2' ' A' ' 30' ' ' HIS . 33.5 mt-30 -56.55 -46.35 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -62.46 -46.88 86.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 5.4 t 51.83 51.91 15.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -144.18 115.32 7.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -39.28 150.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . 99.31 -44.35 1.69 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . -33.44 104.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 111.094 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 113' ' ' PRO . 1.4 p90 -133.45 131.91 40.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.6 pt -136.75 146.19 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.8 t -101.7 99.0 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -91.83 164.39 13.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -92.04 137.43 32.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.798 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.2 m -77.49 136.15 38.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -84.26 -46.16 12.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -50.44 -32.95 19.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.487 ' HG ' ' N ' ' A' ' 50' ' ' GLY . 52.3 tp -162.8 171.11 17.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.487 ' N ' ' HG ' ' A' ' 49' ' ' LEU . . . -72.7 46.69 1.14 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.503 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -97.38 -176.98 3.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -130.72 130.88 44.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -131.72 138.08 48.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 17.5 mt -102.88 144.21 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -119.61 99.94 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.33 150.01 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.567 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 56.5 t80 -101.62 117.79 35.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.1 mmt -79.05 -51.29 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.795 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.567 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . 117.23 135.92 5.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.465 ' HB3' ' N ' ' A' ' 66' ' ' ALA . . . -73.36 71.83 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -97.89 40.18 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -174.68 157.01 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.491 ' C ' ' O ' ' A' ' 62' ' ' ARG . 22.9 t -30.79 -38.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 62' ' ' ARG . 84.0 m -69.44 139.09 53.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.107 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -52.85 -174.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.465 ' N ' ' HB3' ' A' ' 60' ' ' ALA . . . -41.8 164.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.41 128.09 40.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.7 mt -133.63 127.43 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -102.62 158.82 15.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -124.03 104.74 9.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.531 ' CE2' ' SD ' ' A' ' 107' ' ' MET . 37.5 m-85 -99.41 108.35 20.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -85.01 125.66 32.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.43 HG12 ' CG2' ' A' ' 83' ' ' VAL . 73.3 mt -81.9 112.58 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -97.78 179.33 4.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.515 ' NZ ' ' CE2' ' A' ' 81' ' ' TRP . 8.4 ttmm -126.49 140.51 52.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.443 ' C ' ' OD1' ' A' ' 76' ' ' ASN . 24.7 p-10 -88.84 -175.1 4.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.78 -30.19 69.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -85.21 19.38 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.09 51.03 58.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.423 ' CB ' ' O ' ' A' ' 89' ' ' PHE . 68.4 mt-30 -125.0 137.67 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.883 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.515 ' CE2' ' NZ ' ' A' ' 75' ' ' LYS . 91.7 m95 -79.89 142.81 34.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.443 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.9 p90 -158.3 157.13 31.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.97 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.43 ' CG2' HG12 ' A' ' 73' ' ' ILE . 39.0 t -121.12 -46.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.175 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.83 16.49 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 45.27 26.49 0.27 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -130.19 -31.13 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -120.25 113.8 20.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.762 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -107.06 139.08 42.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.515 ' CG ' ' HA ' ' A' ' 95' ' ' LEU . 86.4 m-85 -117.23 -175.39 2.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -106.65 -24.46 12.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.3 m -136.73 150.2 48.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.701 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 19.7 mm -59.48 -47.9 96.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.595 0.712 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.701 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.6 Cg_endo -69.77 -5.16 15.54 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.36 -39.95 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.515 ' HA ' ' CG ' ' A' ' 89' ' ' PHE . 1.5 tt -55.92 -38.79 70.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.47 HD11 ' CD2' ' A' ' 95' ' ' LEU . 17.8 mm -83.83 -28.27 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -43.33 -44.75 5.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.589 ' CE2' ' ND2' ' A' ' 102' ' ' ASN . 9.0 t80 -91.17 -52.72 4.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 98' ' ' TYR . 2.0 t-80 -36.99 -35.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -53.27 -48.29 68.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -103.98 39.76 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.589 ' ND2' ' CE2' ' A' ' 98' ' ' TYR . 58.5 m-80 -163.24 133.21 4.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 104' ' ' ALA . . . -84.45 41.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 103' ' ' ALA . . . -33.84 135.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 53.65 -177.82 0.2 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.53 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 107' ' ' MET . 4.6 mm? -62.84 -43.22 99.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.966 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.531 ' SD ' ' CE2' ' A' ' 71' ' ' TYR . 7.4 ttt -37.41 142.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.0 t -62.64 148.63 45.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.062 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -49.48 151.21 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.459 HD22 ' CE ' ' A' ' 107' ' ' MET . 12.3 mt -85.17 77.99 9.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 39' ' ' GLY . 31.8 ptt180 -115.9 164.57 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.435 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 3.0 m-85 61.94 55.02 2.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.742 0.782 . . . . 0.0 110.979 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.57 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.74 88.39 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.7 t -42.29 129.97 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -81.18 161.89 43.74 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.568 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 11.9 mt -51.73 -64.33 0.85 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 16.5 mtt -64.69 -44.44 90.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 54.86 38.39 64.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 m -144.26 116.34 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.3 t -54.61 -44.38 73.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 112.88 173.4 18.87 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 164.48 34.32 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.336 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.5 t -100.16 102.74 14.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.801 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.1 t -160.64 122.54 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.471 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 t 47.53 42.05 14.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 m -95.49 -52.23 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.13 150.82 7.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -91.35 86.8 6.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -60.26 -47.05 87.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.02 -77.56 0.73 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -115.47 154.62 28.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.975 0.417 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -44.59 154.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.8 mm -51.04 134.99 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.8 m -118.05 102.9 9.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.7 108.48 19.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.509 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 94.3 mt -109.09 -32.98 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -44.43 -42.81 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.464 HG13 ' N ' ' A' ' 16' ' ' TYR . 41.6 pt -40.93 -35.02 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.464 ' N ' HG13 ' A' ' 15' ' ' ILE . 57.8 m-85 -78.72 179.41 7.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -113.74 -32.19 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.467 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 11.2 p-90 -72.35 0.98 8.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 14.6 t80 -106.3 84.63 2.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.563 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 27.3 m-70 -82.72 91.36 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.506 ' HD2' ' CE2' ' A' ' 19' ' ' TYR . 4.4 ptm180 -85.28 -48.33 9.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -76.36 59.83 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.458 ' CG2' ' HB3' ' A' ' 20' ' ' HIS . 9.3 pt -147.31 176.41 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' ARG . 10.2 t -130.86 161.53 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.133 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' THR . 11.5 ttp180 -35.29 -47.18 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -59.43 -60.84 3.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -41.08 -52.64 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -47.23 -63.53 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -57.3 -56.34 23.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' LEU . 83.4 t60 -47.26 -67.4 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' HIS . 52.5 mt -34.62 -43.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.98 -49.34 65.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 30' ' ' HIS . 20.0 mmm-85 -42.02 -54.41 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -48.2 -42.9 31.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -65.95 -49.19 68.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 p 45.44 54.44 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.565 ' HE3' ' CE2' ' A' ' 112' ' ' TYR . 6.9 ptmt -157.13 108.8 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 37' ' ' LYS . 10.3 tt0 -34.39 117.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.69 -37.84 1.74 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.43 117.21 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 111.083 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.551 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 3.0 p90 -135.32 160.89 37.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 28' ' ' ALA . 15.9 pt -162.11 153.88 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.0 t -116.66 105.19 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -108.31 164.74 12.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -95.89 134.78 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 48' ' ' HIS . 1.9 t -66.48 95.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.789 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.5 ttm180 -37.86 -26.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -72.58 -61.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 56.7 tp -123.63 166.91 14.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.465 ' N ' ' HG ' ' A' ' 49' ' ' LEU . . . -74.16 43.77 1.28 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.467 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 49' ' ' LEU . 5.0 t -101.44 -177.19 3.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.943 0.401 . . . . 0.0 110.821 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.496 ' CD2' HD11 ' A' ' 92' ' ' ILE . 61.6 m-85 -128.83 153.22 47.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.403 HG23 ' C ' ' A' ' 71' ' ' TYR . 36.4 m -150.79 130.13 12.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.0 mt -92.81 121.99 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 m -105.72 102.5 11.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 25.0 t -103.15 152.4 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.404 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 45.0 t80 -97.75 110.23 22.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.459 ' HG3' ' CE ' ' A' ' 69' ' ' LYS . 4.6 mmt -76.46 -56.94 4.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.31 112.59 3.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.438 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.71 170.27 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 111.049 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -58.56 -48.22 81.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.2 mmt180 -105.39 142.2 35.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t -52.56 -41.94 64.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.1 t -48.41 -19.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -121.28 157.68 29.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.71 171.05 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -151.4 126.91 10.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.8 mt -137.08 132.18 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.537 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 11.1 mptt -104.09 158.22 16.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -126.79 106.74 9.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.537 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 4.8 m-85 -103.44 108.02 19.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -81.2 123.17 28.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.6 mt -78.04 105.91 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -100.17 175.21 5.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.561 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 1.3 ttmp? -124.43 139.26 54.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -92.5 -177.45 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.867 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -55.63 -32.13 62.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.2 m -81.1 16.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.465 ' HA2' ' CD ' ' A' ' 75' ' ' LYS . . . 48.27 39.19 20.43 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.546 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.425 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 75.7 mt-30 -111.99 145.03 40.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.561 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 72.3 m95 -82.57 131.44 35.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.436 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 21.2 p90 -145.53 159.67 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.443 ' CG2' HD12 ' A' ' 95' ' ' LEU . 85.4 t -127.96 -51.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.224 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.82 5.2 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.436 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 2.3 mt-10 56.56 24.98 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -134.06 -32.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 23.5 m-70 -117.92 123.75 46.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -117.15 141.97 47.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.546 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 14.2 m-85 -119.09 -177.96 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -103.79 -23.78 13.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.5 m -132.59 148.95 52.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.693 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 13.1 mm -58.79 -48.44 96.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.592 0.711 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.693 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.8 Cg_endo -69.7 0.45 5.58 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.736 2.291 . . . . 0.0 112.393 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -98.61 -37.93 9.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.546 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.6 tt -59.76 -37.43 78.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.2 mm -87.65 -15.62 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -56.94 -46.59 81.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -86.2 -49.82 7.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -41.49 -42.58 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -52.66 -39.83 62.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -85.21 -38.2 19.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -151.25 105.25 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.42 ' HB1' ' CB ' ' A' ' 109' ' ' ARG . . . -67.03 81.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.45 ' HB2' ' CD2' ' A' ' 87' ' ' HIS . . . -67.56 80.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 106' ' ' LEU . . . 173.56 38.39 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.541 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 105' ' ' GLY . 13.4 tp 35.15 49.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.967 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 16.9 tpp -148.59 152.87 37.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.6 m -39.81 141.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.42 ' CB ' ' HB1' ' A' ' 103' ' ' ALA . 13.4 ptt180 -98.58 140.05 33.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.551 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 14.1 mt -63.03 116.75 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.459 ' HG3' ' CD1' ' A' ' 112' ' ' TYR . 4.3 ptp180 -122.32 -37.47 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.565 ' CE2' ' HE3' ' A' ' 37' ' ' LYS . 11.7 m-85 -107.79 83.82 1.8 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.766 0.793 . . . . 0.0 110.963 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.426 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 53.3 Cg_endo -69.72 79.66 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.642 2.228 . . . . 0.0 112.381 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.446 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 94.8 t -38.05 118.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.18 164.3 54.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.563 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.6 mt -69.15 -62.51 1.35 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.439 ' HG3' ' N ' ' A' ' 118' ' ' GLY . 2.4 ptt? -35.13 -40.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.439 ' N ' ' HG3' ' A' ' 117' ' ' MET . . . 34.77 -111.49 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.451 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.9 p -174.96 140.93 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.8 m -155.69 172.41 18.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 159.34 92.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 146.42 60.13 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 23.2 m -100.58 -52.96 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.4 p -104.13 177.26 4.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -123.84 139.69 53.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.358 . . . . 0.0 110.9 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.5 p -156.37 146.09 20.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 73.75 41.36 42.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' GLY . 61.1 m 35.92 42.52 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.938 0.399 . . . . 0.0 110.856 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m -47.61 -51.81 20.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.02 -141.18 0.54 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -143.92 164.52 30.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.339 . . . . 0.0 110.926 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -147.76 177.55 9.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' LYS . 49.3 mt -36.65 127.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.5 m -125.91 44.07 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -72.14 125.43 27.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 22.0 mt -102.98 -31.24 10.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -44.63 -45.28 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.483 HD13 ' CZ ' ' A' ' 16' ' ' TYR . 43.4 pt -41.36 -34.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 19.9 m-85 -81.1 170.46 16.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -106.19 -37.38 6.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.417 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 14.3 p-90 -63.56 -17.01 62.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 10.1 t80 -84.6 75.97 10.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.411 ' CD2' HG22 ' A' ' 42' ' ' ILE . 47.6 m-70 -66.44 93.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 42.6 ptt85 -92.0 152.77 19.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.9 t30 74.15 41.5 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.2 pt -134.47 177.9 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' ARG . 10.1 t -136.42 163.89 29.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' THR . 56.6 ttp180 -34.28 -55.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -49.55 -55.29 13.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -54.24 -58.72 6.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.2 -58.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -60.73 -57.13 14.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -41.31 -66.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.3 mt -37.87 -42.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.33 -50.71 29.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -50.88 -39.93 55.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -60.0 -47.46 85.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.46 -51.82 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 m 61.81 42.39 10.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.514 ' HE2' ' CG ' ' A' ' 112' ' ' TYR . 5.2 pttm -139.31 110.04 6.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 37' ' ' LYS . 52.5 tt0 -37.5 145.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 40' ' ' ALA . . . 104.0 -50.16 0.89 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . -33.01 116.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 111.08 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.573 ' CZ ' HD11 ' A' ' 110' ' ' LEU . 8.2 p90 -133.3 161.12 35.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.422 ' CG2' ' O ' ' A' ' 41' ' ' PHE . 24.9 pt -160.41 153.25 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -116.19 109.55 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.486 HH12 ' CE1' ' A' ' 70' ' ' HIS . 17.4 ptt180 -95.79 166.58 11.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.805 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -100.91 117.09 34.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.797 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.3 m -56.48 129.7 41.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 48' ' ' HIS . 6.7 ppt_? -78.52 -39.57 37.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.553 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.4 p80 -57.76 -38.48 75.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.553 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 4.1 tp -156.76 177.09 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.58 44.51 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.543 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 m -96.21 -178.96 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.845 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.562 ' CD1' HD11 ' A' ' 92' ' ' ILE . 43.3 m-85 -138.42 153.39 48.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.2 m -146.3 132.72 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.8 mt -95.78 126.85 48.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 m -111.2 97.18 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 37.5 t -97.33 152.87 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.411 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 56.2 t80 -100.46 116.73 33.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.3 mmt -88.04 -59.52 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.85 136.82 7.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.419 ' HB3' ' C ' ' A' ' 65' ' ' GLU . . . -43.77 163.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 111.09 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.9 mmt-85 -93.38 -59.87 1.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -131.12 44.75 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 m -156.96 165.97 34.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.814 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 m -83.37 39.25 0.65 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.419 ' C ' ' HB3' ' A' ' 60' ' ' ALA . 22.5 mt-10 -106.97 -177.18 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.93 171.3 12.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.19 136.21 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.5 mt -137.74 132.5 44.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.539 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 2.7 mptm? -102.19 160.15 14.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.486 ' CE1' HH12 ' A' ' 44' ' ' ARG . 95.9 m-70 -132.49 105.78 7.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.539 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 4.5 m-85 -104.21 103.95 13.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -78.09 112.29 14.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.1 mt -74.34 107.27 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -96.45 175.58 6.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -128.21 145.75 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.455 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -100.73 -175.66 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -31.9 66.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -81.3 19.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 46.19 41.06 10.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.455 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 44.8 mt-30 -113.37 135.55 53.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.516 ' CG ' HD13 ' A' ' 92' ' ' ILE . 86.6 m95 -81.91 131.63 35.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 20.3 p90 -144.18 149.92 37.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.434 ' CG2' HD12 ' A' ' 95' ' ' LEU . 98.2 t -112.84 -52.29 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.211 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.15 17.95 2.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.571 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 14.5 tt0 43.39 27.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -130.89 -30.85 1.77 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -121.27 108.68 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.24 135.7 40.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 80.8 m-85 -111.79 -174.97 2.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.795 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -105.69 -28.11 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 m -136.04 152.49 50.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.696 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.6 mm -58.71 -48.25 97.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.66 0.743 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.696 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.1 Cg_endo -69.73 -2.84 10.85 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.268 . . . . 0.0 112.344 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -94.64 -40.46 9.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.549 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.9 tt -58.09 -37.55 74.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.6 mm -85.5 -19.71 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -53.62 -48.05 69.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -83.4 -49.23 9.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.441 ' CE1' ' HB2' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -37.86 -36.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.846 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -57.3 -62.12 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -65.36 -49.65 68.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -124.54 116.82 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.6 114.7 3.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.441 ' HB2' ' CE1' ' A' ' 99' ' ' HIS . . . -120.26 75.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 106' ' ' LEU . . . 133.94 -90.85 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 108' ' ' THR . 0.8 OUTLIER -36.86 156.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 64.3 mtm -86.74 36.83 0.72 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.504 ' O ' ' CD1' ' A' ' 106' ' ' LEU . 11.1 t -175.71 155.73 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 110' ' ' LEU . 16.3 ttp180 -100.41 104.75 16.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.573 HD11 ' CZ ' ' A' ' 41' ' ' PHE . 24.8 mt -33.48 116.89 0.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.21 -56.58 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.514 ' CG ' ' HE2' ' A' ' 37' ' ' LYS . 11.8 m-85 -103.15 95.47 6.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.651 0.739 . . . . 0.0 110.915 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 79.58 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.61 2.207 . . . . 0.0 112.384 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.3 t -49.01 113.95 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -106.57 169.47 15.36 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 115' ' ' GLY . 11.0 mp -33.67 -54.21 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 11.4 ptt? -51.33 89.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 116' ' ' LEU . . . -132.9 -75.54 0.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.547 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.6 t -173.05 179.24 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.3 t -133.45 -62.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 56.1 84.08 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 152.64 69.2 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.247 . . . . 0.0 112.314 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.7 t -119.93 42.44 2.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.4 m -58.7 133.97 56.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m -140.81 119.35 12.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.838 0.352 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -97.94 169.03 9.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.93 123.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 m -91.49 -43.86 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.854 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -100.26 153.55 19.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.42 50.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -123.07 82.5 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.917 0.389 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -130.47 177.5 7.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 11' ' ' THR . 57.2 mt -58.72 150.71 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.456 ' N ' HG22 ' A' ' 10' ' ' ILE . 19.2 p -107.58 87.08 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -94.6 110.14 21.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 21.3 mt -108.84 -29.81 8.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -49.33 -37.62 25.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 16' ' ' TYR . 12.2 pt -53.41 -29.75 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.472 ' N ' HG13 ' A' ' 15' ' ' ILE . 61.5 m-85 -83.79 -179.95 7.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -113.22 -36.23 5.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.404 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 11.5 p-90 -67.89 -2.98 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 19.8 t80 -97.87 84.05 3.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.518 ' CD2' HG23 ' A' ' 42' ' ' ILE . 10.4 m-70 -78.49 97.89 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.801 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 12.3 ptm180 -104.84 160.05 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.8 t30 64.97 43.27 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 pt -126.48 178.42 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -128.22 159.55 34.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -38.77 -42.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -60.87 -46.1 91.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -59.09 -55.1 39.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.14 -61.54 1.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -63.05 -58.39 7.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -39.41 -58.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.2 mt -44.32 -54.32 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.39 -50.26 74.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -41.85 -44.71 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -59.23 -46.14 89.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -40.91 91.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 71.3 m 45.01 44.31 8.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.816 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.565 ' HE3' ' CE2' ' A' ' 112' ' ' TYR . 1.9 ptmt -150.47 146.16 26.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -65.21 139.39 58.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.53 -44.67 1.43 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.22 119.6 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.447 ' CE1' ' HA ' ' A' ' 113' ' ' PRO . 4.4 p90 -144.9 159.64 42.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.518 HG23 ' CD2' ' A' ' 20' ' ' HIS . 12.0 pt -157.41 165.02 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.8 t -123.18 113.52 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -108.98 159.55 16.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.98 138.95 30.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' LEU . 74.5 m -74.44 134.75 42.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -79.18 -42.77 25.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.3 p80 -55.78 -36.69 67.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.494 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 7.2 tp -158.45 176.89 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.42 47.05 1.68 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.471 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 t -99.79 -177.75 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.965 0.412 . . . . 0.0 110.802 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.513 ' CD2' HD12 ' A' ' 92' ' ' ILE . 93.1 m-85 -133.49 147.1 51.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.1 m -142.52 128.11 19.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.3 mt -93.26 146.98 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.6 m -129.35 106.89 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.799 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.496 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 18.4 t -103.99 157.36 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.496 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 72.1 t80 -103.15 107.57 18.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.4 mmt -74.61 -56.39 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 95.99 106.66 2.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.82 160.84 19.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -79.08 -53.05 7.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.0 mtt-85 -49.61 169.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.5 t -89.14 146.31 24.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.7 m 65.03 38.56 6.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -135.69 163.49 30.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.82 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.55 143.38 24.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.23 130.21 52.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.5 mt -133.93 129.79 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -101.46 169.6 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -141.04 105.46 4.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.465 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 10.7 m-85 -98.86 117.55 33.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -87.42 111.74 21.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 55.1 mt -68.73 105.81 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -97.87 174.14 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.506 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 14.7 ttmt -128.29 131.52 48.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 76' ' ' ASN . 40.5 p30 -77.75 179.19 6.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.48 -33.49 69.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -72.82 -11.96 60.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.17 35.28 21.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -107.63 139.81 41.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.506 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 79.8 m95 -79.87 123.16 27.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 p90 -144.34 148.46 34.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.954 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 84.2 t -118.25 -51.48 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 86' ' ' ARG . . . -83.17 23.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 84' ' ' ALA . 1.1 pp20? 33.11 32.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 84' ' ' ALA . 17.7 mmt180 -134.06 -26.62 1.49 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -131.5 108.36 9.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -98.53 140.56 32.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.527 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 32.6 m-85 -121.37 -178.85 3.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -106.47 -24.82 12.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.1 m -130.6 149.24 52.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.696 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.6 mm -59.34 -48.04 96.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 111.192 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.696 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.76 1.48 4.4 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.692 2.262 . . . . 0.0 112.398 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -99.61 -40.22 7.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.527 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -57.66 -34.94 69.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.4 mm -86.86 -19.87 7.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -53.93 -41.1 67.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -90.37 -44.57 9.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -43.32 -36.69 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -66.08 -51.65 56.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -63.3 -40.56 97.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -135.41 141.94 45.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.469 ' CB ' ' HB2' ' A' ' 109' ' ' ARG . . . -69.44 97.45 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.67 -40.17 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.5 -77.46 0.22 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 108' ' ' THR . 6.8 tp -138.64 174.03 10.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.445 ' HG3' ' N ' ' A' ' 108' ' ' THR . 5.2 ptm -33.82 -33.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 106' ' ' LEU . 14.7 m -79.73 131.41 35.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.469 ' HB2' ' CB ' ' A' ' 103' ' ' ALA . 37.0 ttp85 -110.4 124.57 51.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.43 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 12.6 mt -50.35 101.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -116.43 -30.01 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.565 ' CE2' ' HE3' ' A' ' 37' ' ' LYS . 23.3 m-85 -111.76 82.9 4.2 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.701 0.762 . . . . 0.0 110.855 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.447 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 54.3 Cg_endo -69.78 79.68 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.613 2.209 . . . . 0.0 112.409 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.403 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 41.2 t -42.53 105.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.88 163.67 50.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.531 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.6 mt -51.0 -61.9 1.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.738 0.304 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 5.2 ptp -51.78 -56.28 14.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 77.94 -57.83 3.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 t -138.12 108.81 6.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.836 0.351 . . . . 0.0 110.816 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 t -173.25 150.75 1.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -139.94 118.5 1.48 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 157.77 59.16 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.731 2.287 . . . . 0.0 112.313 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 34.1 p -101.79 -53.42 2.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.5 m -98.17 161.02 13.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.551 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -39.45 149.78 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 m -60.31 88.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.09 158.66 1.65 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.443 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 m -143.95 170.61 15.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.887 0.375 . . . . 0.0 110.822 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -121.59 117.29 26.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.62 -148.82 18.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.567 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -40.03 150.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.895 0.379 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 10' ' ' ILE . 8.3 mtmp? -142.62 132.99 24.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' LYS . 33.6 mm -37.33 132.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.4 m -123.49 86.27 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -86.86 117.33 25.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 86.7 mt -115.6 -35.78 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.491 ' OE2' ' CZ ' ' A' ' 21' ' ' ARG . 4.0 mt-10 -49.66 -39.96 38.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 16' ' ' TYR . 31.9 pt -49.57 -32.81 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.456 ' N ' HG13 ' A' ' 15' ' ' ILE . 43.8 m-85 -79.77 179.39 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -113.55 -38.89 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.7 p-90 -65.01 -5.53 6.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 27.4 t80 -97.17 82.5 3.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.426 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 19.4 m-70 -79.75 87.1 5.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.491 ' CZ ' ' OE2' ' A' ' 14' ' ' GLU . 11.4 ptt180 -89.42 165.45 14.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.8 t30 62.46 40.92 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.404 ' CD1' ' HD3' ' A' ' 44' ' ' ARG . 15.2 pt -128.86 174.62 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.137 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.1 p -119.2 179.0 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -37.36 76.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -68.55 -41.43 79.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -57.78 -54.72 43.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.463 ' HB3' ' NE ' ' A' ' 44' ' ' ARG . . . -48.34 -64.52 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.141 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -54.74 -56.16 22.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -42.65 -64.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.1 mt -39.98 -46.15 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.454 ' CD1' HG23 ' A' ' 68' ' ' ILE . 51.0 mt -64.73 -56.98 10.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' LEU . 52.4 mmm-85 -36.9 -49.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.821 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -52.16 -43.84 64.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LEU . 3.2 mm-40 -68.98 -51.89 34.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 89.2 p 52.29 54.79 10.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.62 125.37 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -41.12 144.42 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 41' ' ' PHE . . . 108.61 -46.96 1.09 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.48 96.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.633 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -123.71 132.02 53.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.429 HG13 ' NH2' ' A' ' 44' ' ' ARG . 1.1 pt -127.83 165.12 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.452 ' CG2' HG12 ' A' ' 54' ' ' ILE . 22.8 t -140.55 133.19 32.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.053 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.463 ' NE ' ' HB3' ' A' ' 28' ' ' ALA . 1.0 OUTLIER -138.52 174.93 10.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.19 138.2 31.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' HIS . 2.0 m -88.11 74.47 8.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 5.9 mmm180 -35.05 -31.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -56.19 -53.94 51.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.2 tp -137.25 173.61 11.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.59 46.22 1.64 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.469 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.7 m -125.65 -176.96 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.811 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.558 ' CD1' HD13 ' A' ' 92' ' ' ILE . 83.4 m-85 -132.48 167.07 20.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.4 HG21 ' N ' ' A' ' 54' ' ' ILE . 81.4 m -147.26 139.52 24.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.452 HG12 ' CG2' ' A' ' 43' ' ' VAL . 32.2 mt -117.45 133.86 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -110.13 112.8 25.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.2 t -111.42 132.25 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.572 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 53.8 t80 -80.43 112.23 17.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.9 mmt -82.67 -46.16 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.69 110.92 1.0 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.76 131.79 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.741 0.305 . . . . 0.0 111.057 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -100.24 -59.05 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -39.12 -44.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.815 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 t -127.59 170.57 12.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.6 m -83.16 35.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -95.11 -177.27 4.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.07 134.47 54.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.046 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.43 122.84 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.053 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.454 HG23 ' CD1' ' A' ' 32' ' ' LEU . 30.8 mt -133.08 125.77 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -102.27 155.93 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -125.02 105.93 9.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -93.92 115.37 27.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -89.46 124.25 34.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.2 mt -86.69 104.92 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -95.99 174.15 7.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.47 ' CD ' ' HA2' ' A' ' 79' ' ' GLY . 1.1 ttmp? -124.36 138.6 54.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.478 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -91.27 -176.89 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -55.83 -33.4 64.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.13 12.25 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.47 ' HA2' ' CD ' ' A' ' 75' ' ' LYS . . . 53.54 36.61 54.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.478 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 47.6 mt-30 -108.61 142.42 39.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 76.3 m95 -79.93 138.62 37.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.518 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 4.6 p90 -154.45 145.01 22.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 67.6 t -110.92 -48.01 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.418 ' HB2' ' CA ' ' A' ' 105' ' ' GLY . . . -82.5 4.41 24.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.518 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 15.6 tt0 55.66 25.07 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -131.17 -32.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -122.14 108.49 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -98.75 145.64 26.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.486 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 41.6 m-85 -121.05 -174.89 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -107.39 -23.36 12.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 m -135.78 149.69 49.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.692 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 13.7 mm -58.45 -48.56 96.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.682 0.753 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.692 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.2 Cg_endo -69.7 -3.34 11.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.727 2.285 . . . . 0.0 112.383 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -94.0 -39.57 10.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.486 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.5 tt -58.79 -35.39 72.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.46 ' O ' ' CG ' ' A' ' 100' ' ' GLN . 7.6 mm -88.2 -14.93 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -58.99 -43.59 91.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -91.88 -53.63 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.407 ' NE2' ' HB2' ' A' ' 104' ' ' ALA . 1.7 m80 -45.37 -26.68 0.57 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 96' ' ' ILE . 5.4 mm-40 -52.73 -37.92 59.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -107.99 -47.78 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -64.67 -40.28 95.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.461 ' CB ' ' HA ' ' A' ' 109' ' ' ARG . . . 69.6 34.16 2.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.407 ' HB2' ' NE2' ' A' ' 99' ' ' HIS . . . -53.25 130.56 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.418 ' CA ' ' HB2' ' A' ' 84' ' ' ALA . . . 115.1 -39.7 2.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.428 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.6 mp -147.81 173.52 12.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -41.8 63.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.9 m -67.09 136.82 55.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.461 ' HA ' ' CB ' ' A' ' 103' ' ' ALA . 26.4 ptt180 -96.29 132.27 41.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 65.4 mt -54.99 102.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -132.88 178.06 7.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.43 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 5.9 m-85 45.36 55.03 14.23 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.734 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 54.6 Cg_endo -69.72 90.05 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.698 2.266 . . . . 0.0 112.312 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 113' ' ' PRO . 79.1 t -35.31 130.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.0 165.65 49.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.525 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 117' ' ' MET . 12.5 mt -59.82 -60.78 3.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 116' ' ' LEU . 56.9 mtm -34.46 -44.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 117' ' ' MET . . . 35.07 -119.35 0.35 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.9 t -148.91 143.45 26.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.899 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.3 p -83.22 178.24 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -163.93 164.48 36.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 134.4 27.83 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 25.7 t -101.55 -58.91 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.1 m -118.18 109.42 16.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.531 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -109.99 -53.98 2.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 m -141.53 137.58 32.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.88 94.75 2.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.482 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -86.92 -47.8 8.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.906 0.384 . . . . 0.0 110.899 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.1 p -164.18 137.75 5.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.91 125.67 0.85 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -151.13 170.63 18.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -106.96 38.74 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mm -66.23 -40.62 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.7 m -81.14 137.86 35.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -103.12 121.31 42.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 70.4 mt -127.31 -30.25 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -47.7 -41.55 22.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 16' ' ' TYR . 19.5 pt -48.02 -30.36 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.459 ' N ' HG13 ' A' ' 15' ' ' ILE . 56.2 m-85 -80.76 173.93 12.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -109.36 -31.01 7.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.0 p-90 -75.68 4.02 8.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 22.1 t80 -107.45 78.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 43' ' ' VAL . 49.8 m-70 -76.78 91.62 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 11.7 ptt180 -95.32 156.54 16.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.829 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 72.55 43.77 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 pt -134.31 -179.48 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -136.21 168.4 19.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -38.82 -57.61 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.816 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -48.6 -48.84 38.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -62.11 -54.53 39.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.09 -64.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -55.34 -51.27 67.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.45 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 2.6 t-160 -48.64 -66.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.832 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 30' ' ' HIS . 61.8 mt -36.62 -40.66 0.27 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.459 ' CD1' HG23 ' A' ' 68' ' ' ILE . 62.2 mt -72.65 -52.39 15.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -41.71 -41.15 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.54 -43.55 79.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' CD ' HG23 ' A' ' 114' ' ' VAL . 9.7 mt-10 -68.64 -48.94 62.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.563 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 18.2 p 49.69 54.85 10.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.524 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 9.5 ptpt -161.06 118.56 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' LYS . 20.2 tt0 -33.34 136.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.452 ' HA3' ' CG ' ' A' ' 111' ' ' ARG . . . 112.37 -42.41 1.96 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.36 99.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.074 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 110' ' ' LEU . 2.1 p90 -126.41 163.87 22.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.0 pt -158.48 167.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 20' ' ' HIS . 58.4 t -135.51 138.51 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.453 HH22 ' N ' ' A' ' 55' ' ' SER . 1.5 ptp85 -144.02 174.91 10.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.55 134.69 38.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.8 m -64.88 151.2 46.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -95.89 -40.8 9.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.468 ' CG ' ' N ' ' A' ' 49' ' ' LEU . 4.3 p-80 -57.22 -42.41 81.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 48' ' ' HIS . 37.2 mt -150.34 -175.11 4.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.61 40.53 2.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.539 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.8 t -99.27 -177.28 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -131.11 158.18 41.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.98 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.461 HG23 ' N ' ' A' ' 54' ' ' ILE . 94.5 m -146.57 139.96 25.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.178 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.468 HG12 ' CG2' ' A' ' 43' ' ' VAL . 51.4 mt -118.5 128.9 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.189 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.453 ' N ' HH22 ' A' ' 44' ' ' ARG . 38.8 m -107.23 114.4 28.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.0 t -108.22 136.67 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.563 ' CE2' ' HA ' ' A' ' 36' ' ' SER . 39.0 t80 -87.6 116.38 25.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mmt -72.81 -59.01 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.25 134.92 5.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' HB3' ' C ' ' A' ' 65' ' ' GLU . . . -87.91 85.97 7.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.786 0.326 . . . . 0.0 111.072 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 63' ' ' SER . 5.8 mmp_? -84.9 76.28 10.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 38.73 26.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 61' ' ' ARG . 2.4 m -121.23 -60.64 1.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 65' ' ' GLU . 63.8 p -139.29 135.5 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 66' ' ' ALA . 0.5 OUTLIER -41.69 164.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.823 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.483 ' C ' ' O ' ' A' ' 65' ' ' GLU . . . -29.81 117.42 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -104.34 135.35 45.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.459 HG23 ' CD1' ' A' ' 32' ' ' LEU . 29.4 mt -137.51 126.63 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.24 163.73 12.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -133.93 104.63 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -97.7 114.69 26.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -83.76 134.32 34.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 21.3 mt -95.17 113.26 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -106.29 170.03 8.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.506 ' HE2' ' CZ2' ' A' ' 81' ' ' TRP . 23.6 ttmt -115.8 138.64 50.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 76' ' ' ASN . 18.1 p-10 -84.33 -177.27 6.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -62.48 -35.13 78.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.794 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -84.74 18.44 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.7 53.61 42.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -122.12 134.97 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.955 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.506 ' CZ2' ' HE2' ' A' ' 75' ' ' LYS . 80.7 m95 -79.82 132.07 36.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 13.4 p90 -151.51 149.15 28.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 64.8 t -116.2 -50.57 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.076 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.8 -1.2 26.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.508 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.2 mt-10 59.21 24.96 13.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -130.76 -31.73 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -122.79 103.08 8.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.52 143.45 26.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.531 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 62.0 m-85 -119.74 -176.27 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -109.0 -23.09 11.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -136.62 150.87 48.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.8 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.684 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.8 mm -58.85 -48.72 96.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.679 0.752 . . . . 0.0 111.182 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.684 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.9 Cg_endo -69.78 1.21 4.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.258 . . . . 0.0 112.347 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -100.11 -37.5 8.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.531 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -60.49 -36.58 78.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.441 ' CD1' HD22 ' A' ' 95' ' ' LEU . 12.2 mm -88.15 -13.68 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -59.08 -41.1 87.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -90.89 -51.01 5.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -37.74 -47.29 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -49.57 -50.07 43.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -67.44 -49.22 64.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -141.23 117.94 11.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.71 92.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.101 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.06 107.25 4.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.21 -43.95 2.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.438 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 mp -81.24 149.25 29.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 40.2 ttm -74.04 -63.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.5 m -75.85 133.1 40.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -104.52 138.31 41.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.762 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.562 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 28.2 mt -53.82 114.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.452 ' CG ' ' HA3' ' A' ' 39' ' ' GLY . 9.4 ptp180 -120.05 -42.49 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.524 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 3.5 m-85 -107.77 83.53 1.69 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.66 0.743 . . . . 0.0 110.927 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 80.51 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.278 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.41 HG23 ' CD ' ' A' ' 35' ' ' GLU . 72.7 t -45.73 107.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.52 171.59 30.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.7 mp -54.51 -62.57 1.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -50.79 -52.66 38.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 60.36 -106.68 1.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.544 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.9 m -109.7 112.72 24.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.921 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.3 t -96.32 -45.8 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 121.26 -175.24 16.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.539 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 115.32 4.04 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.634 2.223 . . . . 0.0 112.35 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 58.8 m -96.74 175.53 6.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.6 t -171.84 145.21 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -81.6 -45.14 16.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.382 . . . . 0.0 110.868 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -102.21 98.95 9.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.81 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.65 -61.4 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.432 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.9 p -142.41 119.29 11.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.817 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -131.93 -44.53 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.31 -162.29 30.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.416 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -112.97 -55.19 2.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.976 0.417 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -75.5 84.27 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.2 mm -60.51 152.02 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.6 m -108.06 130.87 55.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -104.09 120.6 41.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.402 ' HA ' ' CE2' ' A' ' 16' ' ' TYR . 92.5 mt -125.29 -34.11 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.962 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -45.21 -39.84 6.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.462 HD13 ' CZ ' ' A' ' 16' ' ' TYR . 35.9 pt -46.35 -35.49 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.548 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 19.6 m-85 -79.64 175.0 11.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -107.84 -44.27 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.438 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 18.4 p-90 -56.34 -20.34 18.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.438 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 9.5 t80 -81.62 76.42 8.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.454 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 8.1 m-70 -73.23 108.17 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -107.35 154.06 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.5 t30 75.0 44.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.0 pt -137.34 178.48 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' ARG . 14.8 t -137.14 166.82 22.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' THR . 14.7 ttt-85 -35.89 -57.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -48.62 -52.74 21.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -56.61 -56.13 25.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.97 -64.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.92 -43.98 73.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 31' ' ' LEU . 7.6 t60 -54.6 -66.06 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' HIS . 98.4 mt -35.9 -44.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.7 -53.87 19.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.8 mmm-85 -40.33 -45.68 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -56.24 -45.86 79.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.78 -44.26 77.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.573 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 24.6 p 49.24 42.59 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.624 ' CE ' ' CE2' ' A' ' 112' ' ' TYR . 0.3 OUTLIER -134.9 124.79 25.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -50.37 134.5 23.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.02 -44.4 1.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.29 121.51 1.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.579 ' CZ ' HD13 ' A' ' 110' ' ' LEU . 14.2 p90 -140.69 155.92 46.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.0 pt -146.97 163.13 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.433 ' CG2' HG12 ' A' ' 54' ' ' ILE . 89.8 t -134.16 120.86 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.093 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.437 HH22 ' N ' ' A' ' 55' ' ' SER . 1.9 ptp85 -120.37 174.91 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -98.03 128.18 44.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.7 m -84.43 72.31 10.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' SER . 38.0 mmt180 -35.43 -36.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -46.89 -56.35 6.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.557 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 0.7 OUTLIER -136.5 171.97 13.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.49 ' N ' HD21 ' A' ' 49' ' ' LEU . . . -74.16 48.25 1.73 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.2 m -126.9 -177.27 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.556 ' CD2' HD12 ' A' ' 92' ' ' ILE . 93.4 m-85 -132.41 171.93 13.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 54' ' ' ILE . 91.1 m -150.4 144.29 25.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.462 ' N ' HG22 ' A' ' 53' ' ' THR . 28.9 mt -125.31 122.83 63.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.437 ' N ' HH22 ' A' ' 44' ' ' ARG . 44.0 m -102.79 111.84 24.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.9 t -104.45 139.3 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 41.1 t80 -87.43 112.31 22.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.5 mmt -80.88 -49.45 11.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 60' ' ' ALA . . . 118.9 118.4 2.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 59' ' ' GLY . . . -33.01 120.6 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 111.164 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 -81.41 42.92 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 37.96 35.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.0 t -118.61 -61.04 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.6 m -123.86 -66.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.152 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.44 ' C ' ' HB1' ' A' ' 60' ' ' ALA . 2.0 pt-20 -161.36 -179.16 7.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.568 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . . . -39.47 153.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.09 126.73 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.1 mt -135.74 127.49 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.563 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 2.6 mptm? -101.5 161.3 13.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -126.24 104.72 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 5.0 m-85 -101.86 107.17 18.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -83.79 125.39 31.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.4 mt -86.13 107.23 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.467 ' NZ ' ' CE1' ' A' ' 82' ' ' TYR . 3.1 mtmp? -101.07 -176.09 3.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.982 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -127.61 146.26 50.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.424 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -101.74 -174.74 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -56.91 -33.04 66.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.0 16.01 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 49.41 40.55 31.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.424 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 69.3 mt-30 -114.79 143.0 45.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.895 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.465 ' CD2' HD11 ' A' ' 92' ' ' ILE . 85.3 m95 -80.25 138.4 36.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.564 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 46.9 p90 -154.79 161.03 41.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.452 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 90.3 t -126.39 -48.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.0 -5.68 52.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 mt-10 66.91 25.0 9.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -134.85 -33.45 0.94 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -115.58 111.74 21.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -106.24 141.07 38.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 50.9 m-85 -115.32 -174.66 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -103.33 -29.05 11.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.423 ' HB2' ' CD ' ' A' ' 94' ' ' GLU . 3.5 m -134.76 153.32 52.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.699 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.5 mm -60.09 -48.04 95.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.699 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.74 -6.33 18.32 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.423 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.1 OUTLIER -92.64 -34.44 13.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.8 tt -61.95 -40.53 95.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.4 mm -84.65 -14.2 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -57.76 -45.0 86.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 99' ' ' HIS . 7.7 m-85 -89.86 -50.51 6.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.458 ' CE1' ' O ' ' A' ' 104' ' ' ALA . 4.3 m-70 -38.17 -44.29 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -52.0 -49.22 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -67.05 -45.37 77.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -141.57 128.24 20.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.6 116.3 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.458 ' O ' ' CE1' ' A' ' 99' ' ' HIS . . . -116.25 76.74 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 144.12 -48.4 0.74 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.444 HD22 ' N ' ' A' ' 106' ' ' LEU . 4.3 mm? -111.16 156.5 21.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.322 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 8.4 tpt -57.8 -69.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.8 m -65.14 143.99 57.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 -113.06 150.66 31.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.579 HD13 ' CZ ' ' A' ' 41' ' ' PHE . 11.2 mt -61.86 127.21 30.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -124.87 -47.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.624 ' CE2' ' CE ' ' A' ' 37' ' ' LYS . 73.9 m-85 -105.09 91.81 4.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.683 0.754 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 79.36 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 0.0 112.351 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 63.8 t -40.92 118.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -90.26 163.28 30.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.454 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.2 mt -61.96 -59.95 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.902 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 116' ' ' LEU . 11.8 mmt -34.34 -47.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 46.68 -147.11 3.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.7 p -109.45 -45.86 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.829 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.7 m -49.0 162.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.858 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -160.15 94.77 0.13 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 123' ' ' SER . 53.6 Cg_endo -69.75 -29.69 23.51 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.736 2.291 . . . . 0.0 112.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 122' ' ' PRO . 3.5 t -35.46 124.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 t -64.43 130.67 44.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.502 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -148.56 157.9 43.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.826 0.346 . . . . 0.0 110.833 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -113.54 -61.23 1.77 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.73 -158.91 22.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t 53.46 42.14 32.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.879 0.371 . . . . 0.0 110.928 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -111.14 145.5 38.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.12 91.69 0.37 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -99.71 129.11 45.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -72.9 151.2 42.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.8 mt -59.04 135.54 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 m -131.97 83.55 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.93 109.21 11.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 27.0 mt -109.32 -29.82 8.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -48.5 -41.51 30.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 16' ' ' TYR . 16.1 pt -47.94 -27.88 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.434 ' N ' HG13 ' A' ' 15' ' ' ILE . 55.3 m-85 -85.03 178.23 7.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -113.24 -35.6 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 11.2 p-90 -70.58 -0.3 8.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 13.8 t80 -100.73 80.27 2.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.522 ' CD2' HG21 ' A' ' 42' ' ' ILE . 45.5 m-70 -74.48 98.29 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 24.6 ptt180 -101.22 154.76 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 72.26 43.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.6 pt -130.69 176.63 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 25' ' ' ARG . 13.4 t -131.02 164.13 26.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.0 tpp180 -34.66 -59.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -47.41 -51.13 20.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -54.43 -57.31 11.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.57 -60.16 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -61.03 -59.69 4.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' ARG . 68.7 t60 -42.96 -64.86 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.789 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' HIS . 19.9 mt -35.95 -40.75 0.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.29 -43.85 39.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' HIS . 21.3 mmt85 -52.94 -39.73 63.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -55.51 -46.44 76.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -66.13 -51.14 60.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.9 m 61.35 51.2 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.38 148.64 32.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -71.49 117.03 12.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.995 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.88 -38.3 1.92 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.24 112.66 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.339 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.41 ' CG ' HD23 ' A' ' 110' ' ' LEU . 4.3 p90 -132.88 159.3 40.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.522 HG21 ' CD2' ' A' ' 20' ' ' HIS . 21.4 pt -156.73 161.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.1 t -125.17 108.23 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 20.5 ptt85 -103.65 169.35 8.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -99.2 135.28 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 m -72.94 139.8 47.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -83.81 -46.42 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -52.23 -29.43 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.5 ' HG ' ' N ' ' A' ' 50' ' ' GLY . 54.3 tp -165.16 171.07 14.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.5 ' N ' ' HG ' ' A' ' 49' ' ' LEU . . . -72.48 47.04 1.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -98.72 -177.1 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.948 0.404 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.572 ' CD2' HD13 ' A' ' 92' ' ' ILE . 98.1 m-85 -134.03 156.99 47.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.2 m -151.74 134.96 15.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.444 ' CD1' HD11 ' A' ' 96' ' ' ILE . 24.2 mt -97.25 138.56 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.3 m -121.3 101.64 7.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.798 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG11 ' CG2' ' A' ' 108' ' ' THR . 29.8 t -101.33 150.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -97.09 108.86 21.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.417 ' CE ' ' HB2' ' A' ' 107' ' ' MET . 6.1 mmt -78.03 -68.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.23 123.94 3.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.406 ' HB2' ' C ' ' A' ' 65' ' ' GLU . . . -52.07 175.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.737 0.303 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 62' ' ' ARG . 22.2 mmt180 -76.73 81.19 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' ARG . 7.6 tpp180 35.85 49.66 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.1 p -133.26 -177.97 4.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.8 m -79.82 42.15 0.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.112 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.406 ' C ' ' HB2' ' A' ' 60' ' ' ALA . 4.6 mm-40 -134.66 178.76 6.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -136.8 152.8 50.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.9 129.74 42.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.5 mt -131.13 133.12 63.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.417 ' HD3' ' CG ' ' A' ' 58' ' ' MET . 12.4 mptt -101.93 158.12 16.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -130.74 104.77 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.454 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 8.2 m-85 -100.21 98.15 8.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -71.78 112.35 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 52' ' ' TYR . 21.9 mt -70.29 110.73 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -101.73 172.53 6.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.565 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 24.8 ttmt -126.31 138.12 53.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 79' ' ' GLY . 47.3 p30 -79.7 -177.7 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.53 -33.28 75.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 m -71.23 -17.82 62.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . 93.56 30.82 8.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.425 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 38.8 mt-30 -106.12 142.59 35.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.565 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 71.1 m95 -79.88 133.77 36.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.537 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 3.9 p90 -151.93 158.67 43.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 62.3 t -121.43 -49.57 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.228 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.82 6.36 15.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.537 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 18.4 tt0 54.06 25.21 5.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -131.9 -32.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -117.93 105.42 11.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.26 146.29 24.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 91.7 m-85 -118.72 -175.44 2.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -106.76 -24.69 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.425 ' HB2' ' CD ' ' A' ' 94' ' ' GLU . 1.9 m -139.46 152.79 47.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.678 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 5.3 mm -60.33 -49.01 92.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.579 0.704 . . . . 0.0 111.158 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.678 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 52.8 Cg_endo -69.76 -4.79 14.74 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.729 2.286 . . . . 0.0 112.298 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.425 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.1 OUTLIER -94.91 -34.74 12.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.572 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.3 tt -60.94 -35.93 78.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.444 HD11 ' CD1' ' A' ' 54' ' ' ILE . 11.6 mm -86.72 -13.04 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.148 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.4 t-105 -61.29 -36.91 81.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.597 ' CD2' ' OD1' ' A' ' 102' ' ' ASN . 1.5 t80 -92.05 -47.28 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -41.02 -34.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -53.22 -56.97 12.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -70.52 -55.06 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.597 ' OD1' ' CD2' ' A' ' 98' ' ' TYR . 1.1 p30 -124.68 121.74 35.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.57 74.61 6.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.8 79.94 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 132.3 -53.78 0.79 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 14.9 mt -59.88 -173.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.417 ' HB2' ' CE ' ' A' ' 58' ' ' MET . 19.6 mtm -106.1 -41.6 5.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.467 ' CG2' HG11 ' A' ' 56' ' ' VAL . 6.3 t -116.07 162.41 17.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -96.84 130.1 44.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.41 HD23 ' CG ' ' A' ' 41' ' ' PHE . 21.3 mt -57.06 117.73 4.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -114.45 -55.96 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -103.92 93.92 5.88 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.661 0.744 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 114' ' ' VAL . 53.4 Cg_endo -69.82 79.74 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.291 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.461 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 97.6 t -33.33 110.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.19 158.17 50.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.549 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.0 mt -51.41 -62.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 11.4 mtm -55.89 89.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -121.19 -56.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.4 m -109.14 176.17 5.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.2 m -166.34 175.13 8.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -96.82 116.37 5.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -47.32 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.1 t -147.95 176.35 10.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -152.2 150.95 30.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m -122.24 42.46 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.804 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.8 m -128.3 143.11 50.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.51 -40.88 0.96 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -79.29 116.91 19.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.818 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -166.51 138.29 3.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.01 -146.64 4.39 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -95.27 113.31 24.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.955 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 10' ' ' ILE . 5.2 mtpm? -109.1 114.22 27.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.3 mp -33.84 150.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.6 m -143.68 105.94 4.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -111.47 136.52 50.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.562 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 22.2 mt -120.52 -20.02 7.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -50.27 -44.63 53.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.4 pt -46.49 -36.74 2.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.07 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -74.05 -175.01 2.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.08 -36.19 3.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.6 p-90 -66.93 -3.7 7.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.562 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 20.6 t80 -94.84 77.11 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.547 ' CD2' HG23 ' A' ' 42' ' ' ILE . 15.3 m-70 -75.11 93.15 2.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -96.9 167.15 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.9 t30 65.26 37.59 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.7 pt -131.2 175.22 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.208 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.9 p -117.34 176.18 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tpp85 -58.82 -31.47 68.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -75.38 -40.91 57.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -57.46 -52.49 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.413 ' HB2' ' NH1' ' A' ' 44' ' ' ARG . . . -46.06 -61.84 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.11 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -53.2 -59.63 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -38.41 -52.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.1 mt -52.97 -52.66 57.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.402 ' CD1' HG23 ' A' ' 68' ' ' ILE . 26.2 mt -57.19 -46.17 83.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -46.87 -50.0 19.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -48.64 -41.85 32.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.36 -64.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.478 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 5.8 m 69.85 44.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.571 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 12.0 ptpt -151.83 126.16 9.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER -44.88 138.2 3.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.479 ' N ' ' OE1' ' A' ' 38' ' ' GLU . . . 113.87 -46.08 1.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.436 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.34 120.19 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 111.077 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.504 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 9.1 p90 -141.01 169.01 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.547 HG23 ' CD2' ' A' ' 20' ' ' HIS . 1.0 OUTLIER -164.81 167.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.12 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.4 t -134.77 138.0 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' NH2' ' CB ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -134.01 174.56 10.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.06 132.86 42.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' HIS . 6.7 m -92.19 72.9 5.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' SER . 14.1 ttt180 -37.55 -27.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -56.73 -61.13 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.455 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -132.81 45.74 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . 37.75 31.46 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' LEU . 20.6 m -92.29 -177.43 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.866 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.577 ' CD1' HD13 ' A' ' 92' ' ' ILE . 71.7 m-85 -130.94 131.78 44.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.016 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.467 HG23 ' N ' ' A' ' 54' ' ' ILE . 97.5 m -118.49 140.69 49.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.467 ' N ' HG23 ' A' ' 53' ' ' THR . 68.9 mt -116.92 120.1 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.459 ' CB ' ' NH2' ' A' ' 44' ' ' ARG . 73.8 m -104.13 105.26 15.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.9 t -98.65 147.42 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 56.6 t80 -92.68 111.91 23.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.2 mmt -83.37 -49.46 9.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.92 124.22 2.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.437 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.62 173.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -54.9 -44.53 74.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -122.26 177.54 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.5 m -81.96 41.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -116.17 -20.09 9.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -140.45 172.88 12.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.05 154.91 35.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.26 124.08 18.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.402 HG23 ' CD1' ' A' ' 32' ' ' LEU . 20.2 mt -133.34 127.77 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.44 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 13.1 mptt -103.33 157.34 17.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -122.7 112.31 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 7.3 m-85 -107.93 108.04 19.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -79.31 130.96 35.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 85.1 mt -85.44 111.93 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.451 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -102.05 175.94 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.835 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.499 ' CE ' ' CH2' ' A' ' 81' ' ' TRP . 24.3 ttmt -127.39 140.98 51.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.454 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -95.34 -179.99 4.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -52.98 -31.62 41.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -81.33 17.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 47.8 37.75 15.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.454 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 72.1 mt-30 -110.2 143.45 40.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.724 0.297 . . . . 0.0 110.883 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.499 ' CH2' ' CE ' ' A' ' 75' ' ' LYS . 74.8 m95 -80.03 144.68 33.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.52 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 5.3 p90 -158.79 143.4 15.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 66.2 t -107.62 -45.61 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.162 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.54 7.75 21.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.52 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 16.7 tt0 51.94 26.0 3.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -132.37 -32.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -120.09 110.17 16.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -99.92 145.1 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 35.6 m-85 -119.58 -176.0 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -104.09 -21.78 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 m -139.23 150.3 45.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.674 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.0 mm -57.85 -49.38 94.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.69 0.757 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.8 Cg_endo -69.77 -6.44 18.62 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.268 . . . . 0.0 112.335 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -90.91 -34.22 15.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.548 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.2 tt -62.79 -39.29 93.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.484 ' CD1' ' CD2' ' A' ' 95' ' ' LEU . 4.7 mm -84.8 -15.45 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.4 t-105 -55.98 -38.29 70.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' HIS . 50.6 t80 -92.4 -52.3 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.476 ' CE1' HD12 ' A' ' 106' ' ' LEU . 18.9 m-70 -36.5 -44.41 0.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -50.69 -49.4 57.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -72.62 -47.98 43.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -143.83 128.33 18.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.18 97.88 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.25 83.75 7.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.27 -52.18 0.7 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.476 HD12 ' CE1' ' A' ' 99' ' ' HIS . 5.7 mp -73.24 145.96 45.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 18.2 mtm -70.43 -40.72 73.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 83.2 m -94.48 144.52 25.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.21 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -109.69 146.93 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.504 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 39.4 mt -67.69 117.22 9.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 65.9 mtp85 -108.68 -53.54 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.571 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 41.5 m-85 -106.88 91.83 6.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.702 0.763 . . . . 0.0 110.951 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 79.93 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.39 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.41 117.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -103.45 171.11 20.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 115' ' ' GLY . 10.7 mp -34.55 -60.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.447 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 26.7 mmt -63.26 89.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -170.22 49.37 0.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.5 p -117.31 164.23 15.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.7 m -72.4 157.1 38.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.785 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 147.91 142.84 3.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -15.33 37.07 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.36 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 61.9 p -120.31 -24.16 6.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.4 t -121.67 101.98 7.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -87.43 159.98 18.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m 60.45 49.2 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.87 139.65 2.78 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.555 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -129.18 87.24 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.908 0.385 . . . . 0.0 110.907 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 m -135.92 133.68 37.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.836 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.37 -155.52 52.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -78.08 130.37 36.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 10' ' ' ILE . 58.6 mmtt -133.93 145.64 49.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' LYS . 35.1 mm -37.64 150.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.95 0.405 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 m -117.49 99.01 6.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -91.17 112.57 24.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.407 ' HB3' ' CD2' ' A' ' 19' ' ' TYR . 95.9 mt -111.42 -38.21 5.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -45.37 -39.9 7.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.467 HD12 ' CZ ' ' A' ' 16' ' ' TYR . 44.0 pt -45.33 -37.95 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.467 ' CZ ' HD12 ' A' ' 15' ' ' ILE . 28.1 m-85 -81.55 169.9 16.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -103.02 -41.48 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.487 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 19.4 p-90 -57.03 -12.76 2.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.487 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 9.0 t80 -90.03 84.09 6.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.476 ' CE1' HD12 ' A' ' 31' ' ' LEU . 13.3 m-70 -82.67 106.81 14.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.427 ' HD2' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -109.84 150.11 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.8 t30 72.16 42.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.2 pt -129.57 -176.74 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.3 t -137.02 157.12 47.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 24' ' ' THR . 24.9 ttp180 -34.22 -47.04 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -56.54 -51.2 69.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' THR . 27.7 mm100 -59.05 -50.23 74.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.15 -58.68 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.57 -56.08 26.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -48.42 -52.2 23.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.476 HD12 ' CE1' ' A' ' 20' ' ' HIS . 19.3 mt -48.87 -56.33 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.422 ' CD2' ' HB3' ' A' ' 40' ' ' ALA . 39.5 mt -51.71 -46.19 63.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -54.13 -23.4 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 16.1 mm-40 -63.77 -36.74 84.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 35' ' ' GLU . 15.1 mp0 -84.19 -31.7 24.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.5 p 41.76 54.63 3.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.554 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 7.2 ptpt -155.95 144.74 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -64.07 118.84 9.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.447 ' HA3' ' CG ' ' A' ' 111' ' ' ARG . . . 134.24 -29.16 3.08 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.427 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.422 ' HB3' ' CD2' ' A' ' 32' ' ' LEU . . . -57.02 122.97 13.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' A' ' 113' ' ' PRO . 8.8 p90 -137.64 160.49 39.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.403 ' CG1' ' HB3' ' A' ' 55' ' ' SER . 10.2 pt -156.97 156.92 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.3 t -124.94 121.43 61.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -113.44 160.05 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -92.94 142.35 27.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.7 m -83.75 138.25 33.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -81.05 -45.32 16.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.569 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.2 p80 -51.88 -36.73 49.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.6 tp -157.8 178.05 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.7 46.39 1.7 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 m -98.87 -177.53 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.563 ' CD1' HD13 ' A' ' 92' ' ' ILE . 65.9 m-85 -143.11 149.12 37.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.1 m -130.47 130.68 44.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.6 mt -94.72 140.13 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.403 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 0.5 OUTLIER -127.08 105.76 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 25.1 t -103.88 154.04 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.433 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 52.0 t80 -100.75 108.88 20.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mmt -80.61 -52.11 7.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.51 121.48 2.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.407 ' CB ' ' HG2' ' A' ' 65' ' ' GLU . . . -50.83 178.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.483 ' HD3' ' N ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -124.62 -54.48 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.403 ' NE ' ' HA ' ' A' ' 62' ' ' ARG . 1.2 tpm_? -82.9 -66.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -76.34 142.03 41.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.7 m -52.47 -15.72 0.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.407 ' HG2' ' CB ' ' A' ' 60' ' ' ALA . 4.0 pt-20 -47.13 174.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.12 -179.87 3.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -146.37 131.68 18.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.7 mt -135.44 130.64 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.98 169.7 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -142.26 107.56 5.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.465 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 10.8 m-85 -100.42 120.8 40.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -83.52 139.45 32.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 83.3 mt -104.3 100.35 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' NZ ' ' OE2' ' A' ' 85' ' ' GLU . 32.1 mtmt -98.12 171.13 8.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.448 ' CE ' ' CH2' ' A' ' 81' ' ' TRP . 14.7 ttmt -123.57 137.8 54.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.443 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -91.8 -177.69 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -55.66 -31.94 62.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -80.48 15.81 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 49.31 40.65 30.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.443 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 79.2 mt-30 -113.44 142.38 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.448 ' CH2' ' CE ' ' A' ' 75' ' ' LYS . 69.1 m95 -80.81 138.74 36.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.508 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 17.9 p90 -152.72 150.06 29.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 71.9 t -116.69 -51.26 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.7 -3.24 37.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.508 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.5 mt-10 65.18 25.09 12.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -133.23 -32.7 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -117.4 117.26 29.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -108.11 137.37 46.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.048 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CZ ' ' CD1' ' A' ' 98' ' ' TYR . 42.9 m-85 -112.65 -175.34 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.8 -16.7 13.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -139.04 145.97 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.695 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 18.5 mm -59.83 -47.04 98.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.676 0.75 . . . . 0.0 111.182 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.695 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.1 Cg_endo -69.82 -0.89 7.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.612 2.208 . . . . 0.0 112.375 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.4 -47.61 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.413 HD22 ' C ' ' A' ' 95' ' ' LEU . 2.5 tt -52.56 -33.06 44.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 19.9 mm -90.75 -21.04 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -53.05 -48.79 67.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 99' ' ' HIS . 1.9 p90 -76.85 -45.13 29.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.511 ' N ' ' CG ' ' A' ' 98' ' ' TYR . 4.5 t-80 -41.64 -53.42 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -45.8 -36.15 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -79.71 -50.13 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -126.87 134.41 50.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.46 ' HB1' ' CB ' ' A' ' 109' ' ' ARG . . . -89.02 83.55 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.32 -44.78 62.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -53.51 -83.62 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.54 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.5 mt -119.94 177.1 5.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 12.2 mtp -48.1 -64.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 85.4 m -51.77 137.85 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.46 ' CB ' ' HB1' ' A' ' 103' ' ' ALA . 15.0 ptt180 -121.06 148.26 44.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.5 mt -62.41 104.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 111' ' ' ARG . 3.5 ptm85 -124.08 -28.67 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.554 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 10.4 m-85 -112.11 90.64 14.09 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.7 0.762 . . . . 0.0 110.884 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.444 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 53.9 Cg_endo -69.87 79.77 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.641 2.228 . . . . 0.0 112.36 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.9 t -37.95 126.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.24 142.67 37.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.421 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.4 mt -42.87 -62.49 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 118' ' ' GLY . 33.5 mmt -94.18 39.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 117' ' ' MET . . . 34.24 -119.05 0.27 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.7 t -133.7 41.26 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.7 t -73.78 -54.06 8.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -68.6 121.26 12.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.69 1.51 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.0 t -100.75 81.58 2.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.8 m -57.28 111.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -174.94 168.95 3.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -158.86 142.08 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.06 120.45 3.46 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.4 p -158.61 176.61 12.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.898 0.38 . . . . 0.0 110.789 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 t -157.73 126.46 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.54 159.57 9.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -81.42 155.88 25.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -134.17 137.17 44.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 11' ' ' THR . 21.8 mt -41.47 145.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.46 ' N ' HG22 ' A' ' 10' ' ' ILE . 7.2 m -109.62 51.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -65.78 108.62 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.573 ' CB ' ' CD2' ' A' ' 19' ' ' TYR . 13.2 mt -107.66 -38.72 5.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -45.86 -36.45 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 16' ' ' TYR . 37.3 pt -53.95 -35.64 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.541 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 47.3 m-85 -78.26 -177.79 5.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -116.66 -31.26 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 11.3 p-90 -70.39 -1.36 10.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.573 ' CD2' ' CB ' ' A' ' 13' ' ' LEU . 12.8 t80 -101.59 88.39 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.462 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . 17.5 m-70 -85.48 91.08 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -87.57 -35.66 17.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.474 ' N ' ' HG2' ' A' ' 21' ' ' ARG . 47.6 t-20 -89.37 60.85 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.462 ' CG2' ' HB3' ' A' ' 20' ' ' HIS . 9.3 pt -148.34 175.3 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.478 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.5 t -131.6 156.52 45.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.4 tpp85 -32.17 -50.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -55.48 -48.63 74.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' THR . 12.6 mm100 -56.91 -56.95 15.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -38.62 -46.87 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -74.68 -50.63 16.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' LEU . 75.2 t60 -53.31 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 30' ' ' HIS . 26.6 mt -35.37 -48.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.98 -46.49 74.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -44.62 -42.43 7.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -59.07 -38.48 79.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -69.84 -50.87 38.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.454 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 32.7 m 50.4 54.48 11.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.579 ' HE3' ' CD2' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -160.86 112.46 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.4 OUTLIER -33.74 136.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.464 ' HA3' ' CG ' ' A' ' 111' ' ' ARG . . . 119.09 -46.43 1.13 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.93 119.31 1.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 9.6 p90 -138.92 165.13 27.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.464 ' CG2' ' O ' ' A' ' 41' ' ' PHE . 12.8 pt -164.0 167.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.0 t -126.52 105.2 13.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.468 ' NH2' ' ND1' ' A' ' 70' ' ' HIS . 37.0 ptt180 -96.95 159.35 14.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -94.08 121.88 36.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.4 m -71.71 74.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' SER . 11.0 tpp180 -34.65 -36.72 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -48.79 -55.34 11.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.562 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.5 tp -133.37 173.98 10.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.58 45.97 1.62 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.551 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.6 m -123.77 -177.14 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.398 . . . . 0.0 110.778 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -131.56 163.58 27.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.933 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.1 m -144.27 135.92 25.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.214 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.3 mt -97.99 139.57 19.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.1 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.5 m -124.39 102.25 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 17.8 t -102.17 154.2 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.559 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 48.7 t80 -102.31 114.38 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.435 ' CE ' ' HB3' ' A' ' 107' ' ' MET . 4.0 mmt -78.28 -40.28 37.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.559 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . 77.89 124.79 0.31 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.55 162.43 15.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 111.077 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -91.61 -39.98 11.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -40.16 156.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.4 m -42.03 -71.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.5 p -116.22 91.25 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -149.94 176.79 10.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -159.05 165.91 32.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.04 132.41 13.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.5 mt -138.19 130.39 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -101.83 169.21 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.468 ' ND1' ' NH2' ' A' ' 44' ' ' ARG . 94.8 m-70 -139.61 107.96 5.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.789 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.465 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 7.9 m-85 -103.85 114.8 29.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -82.92 128.11 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.7 mt -88.74 103.96 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -98.17 176.51 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.583 ' CE ' ' CH2' ' A' ' 81' ' ' TRP . 23.9 ttmt -124.9 139.4 53.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.46 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -93.11 -176.76 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -32.3 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.51 13.66 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 51.91 40.37 49.94 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.46 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 87.5 mt-30 -113.19 142.48 45.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.583 ' CH2' ' CE ' ' A' ' 75' ' ' LYS . 45.6 m95 -80.43 124.36 28.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 p90 -143.73 154.36 43.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.98 0.419 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 99.0 t -123.3 -46.79 2.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.156 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 86' ' ' ARG . . . -87.08 20.0 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 84' ' ' ALA . 3.1 pt-20 34.29 31.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 84' ' ' ALA . 22.3 mmt85 -132.62 -24.97 1.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -136.85 112.22 9.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -104.14 149.61 25.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 23.1 m-85 -125.12 -176.18 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -105.85 -24.04 12.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 m -134.2 147.16 50.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.703 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.7 mm -58.12 -47.64 98.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 111.188 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.703 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.3 Cg_endo -69.77 -0.63 7.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.621 2.214 . . . . 0.0 112.358 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -98.19 -41.21 8.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.57 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.1 tt -56.38 -34.63 66.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.4 mm -90.24 -15.95 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -58.16 -44.44 87.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 99' ' ' HIS . 6.5 m-85 -89.13 -50.35 6.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 95' ' ' LEU . 6.6 m-70 -38.27 -38.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.479 ' O ' ' NE ' ' A' ' 109' ' ' ARG . 27.4 mt-30 -57.9 -51.96 67.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -66.77 -46.27 75.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -134.95 128.06 31.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.95 101.98 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -103.74 81.44 1.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 107.02 -43.4 1.69 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.9 mp -56.24 139.53 47.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.435 ' HB3' ' CE ' ' A' ' 58' ' ' MET . 13.8 mtp -48.58 -49.65 35.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.5 t -135.56 148.11 48.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.479 ' NE ' ' O ' ' A' ' 100' ' ' GLN . 14.2 ttp180 -74.06 141.83 45.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.56 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 24.1 mt -72.58 118.46 15.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.464 ' CG ' ' HA3' ' A' ' 39' ' ' GLY . 3.4 ptp180 -119.31 -40.04 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.579 ' CD2' ' HE3' ' A' ' 37' ' ' LYS . 14.6 m-85 -108.94 88.32 5.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.696 0.76 . . . . 0.0 110.924 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.555 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.74 79.29 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.45 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 85.3 t -37.96 129.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.58 157.81 40.55 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.406 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.5 mt -52.51 -63.27 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 118' ' ' GLY . 32.1 mtm -38.98 -67.94 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 117' ' ' MET . . . 36.46 38.72 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.5 t -140.76 144.12 35.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.918 0.39 . . . . 0.0 110.805 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.8 t -157.18 136.67 12.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 168.42 102.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -5.87 17.23 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.726 2.284 . . . . 0.0 112.345 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.2 t -48.07 153.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 125' ' ' GLY . 52.9 p -153.75 127.11 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 124' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.441 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.0 p 44.71 42.2 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.817 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 55.76 42.07 29.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.48 109.52 0.38 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -77.03 83.13 3.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m -85.86 143.36 28.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.41 -102.65 1.11 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 68.57 41.59 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -95.93 98.41 10.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.5 mt -47.96 -39.95 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.0 m -80.16 131.15 35.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -124.35 113.65 18.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.555 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 25.9 mt -108.89 -28.47 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -47.96 -38.28 16.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.463 HG13 ' N ' ' A' ' 16' ' ' TYR . 18.8 pt -49.35 -31.16 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.169 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.463 ' N ' HG13 ' A' ' 15' ' ' ILE . 58.0 m-85 -84.76 -178.5 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.62 -32.82 5.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.425 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 11.7 p-90 -71.15 0.73 7.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 11.0 t80 -102.05 81.98 2.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.42 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 38.0 m-70 -76.51 94.84 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -93.28 164.33 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.3 t30 62.3 39.81 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.5 pt -131.15 176.21 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.5 t -132.92 167.59 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -39.48 -51.66 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -53.39 -52.55 58.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -53.77 -59.68 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.456 ' CB ' HD13 ' A' ' 42' ' ' ILE . . . -45.2 -63.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -53.56 -58.13 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.46 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 2.5 t-160 -41.42 -60.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.0 mt -41.71 -43.24 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 mt -67.21 -51.97 46.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -41.37 -46.43 3.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -57.93 -43.98 86.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.23 -39.53 93.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.417 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 68.2 p 43.71 45.98 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.551 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 8.2 ptpt -152.19 139.17 19.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -61.74 130.98 48.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.04 -41.47 1.78 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.33 106.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 111.06 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 2.4 p90 -127.56 165.24 20.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.79 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.456 HD13 ' CB ' ' A' ' 28' ' ' ALA . 14.0 pt -160.3 162.71 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.1 t -124.25 104.04 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.1 ptt85 -94.62 169.62 10.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.49 107.89 19.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.403 ' OG ' ' C ' ' A' ' 51' ' ' SER . 15.2 m -39.74 139.65 0.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -89.39 -41.18 12.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.6 p80 -57.31 -35.3 69.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 11.3 mt -157.12 -175.69 5.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.18 42.65 2.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.403 ' C ' ' OG ' ' A' ' 46' ' ' SER . 3.3 m -99.0 175.63 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -132.62 140.89 48.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 54' ' ' ILE . 85.4 m -128.51 140.78 51.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.175 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.452 ' N ' HG22 ' A' ' 53' ' ' THR . 13.1 mt -105.33 125.77 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.3 m -109.98 98.27 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.2 t -98.6 149.88 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 36' ' ' SER . 40.9 t80 -98.63 143.53 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.3 mmt -103.42 -60.02 1.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.413 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . 129.53 20.0 1.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.53 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.43 ' HB2' ' C ' ' A' ' 65' ' ' GLU . . . 54.29 32.71 16.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.774 0.321 . . . . 0.0 111.17 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -59.95 -49.81 76.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 62' ' ' ARG . 0.5 OUTLIER -100.58 -61.74 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.4 m -46.55 167.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.452 HG21 ' N ' ' A' ' 65' ' ' GLU . 10.2 t -74.88 -21.78 59.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.452 ' N ' HG21 ' A' ' 64' ' ' THR . 5.4 mm-40 -144.25 -178.32 5.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 65' ' ' GLU . . . -33.05 121.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.81 113.42 25.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.076 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.8 mt -117.85 133.16 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -101.47 161.1 13.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -136.2 105.21 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.464 ' CE2' HD21 ' A' ' 106' ' ' LEU . 14.3 m-85 -100.65 112.32 24.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -85.69 126.82 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 46.4 mt -86.32 103.6 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 1.1 mppt? -96.9 169.8 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' CE ' ' CZ2' ' A' ' 81' ' ' TRP . 7.7 ttmm -118.59 136.08 54.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.416 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -90.56 -175.75 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 79' ' ' GLY . 30.8 t0 -59.8 -30.88 69.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.2 m -80.26 19.89 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . 46.11 44.71 14.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.416 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 59.1 mt-30 -120.07 142.48 48.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.756 0.313 . . . . 0.0 110.983 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.503 ' CG ' HD13 ' A' ' 92' ' ' ILE . 70.2 m95 -79.98 132.54 36.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.9 p90 -148.09 158.45 44.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.003 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.434 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 77.4 t -119.55 -45.53 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' ARG . . . -95.33 22.1 7.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 84' ' ' ALA . 3.9 pt-20 36.58 28.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' ALA . 15.3 mmt180 -129.86 -24.91 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -133.26 99.87 4.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -91.6 150.53 21.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 39.0 m-85 -123.58 -174.7 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -104.54 -25.85 12.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.435 ' HB2' ' CD ' ' A' ' 94' ' ' GLU . 2.3 m -139.22 154.83 48.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.709 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 20.1 mm -59.51 -46.74 98.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.658 0.742 . . . . 0.0 111.174 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.709 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.79 -4.12 13.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.621 2.214 . . . . 0.0 112.383 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.435 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.2 OUTLIER -94.83 -37.91 11.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.4 tt -59.81 -36.14 76.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 19.3 mm -87.93 -15.94 9.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.117 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -56.63 -41.85 77.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -94.44 -49.79 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.501 ' CE1' ' HB2' ' A' ' 104' ' ' ALA . 0.7 OUTLIER -41.81 -36.83 1.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -52.73 -57.0 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.968 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -74.39 -48.92 24.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -117.71 102.79 9.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.91 96.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.501 ' HB2' ' CE1' ' A' ' 99' ' ' HIS . . . -86.72 94.74 9.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 80.08 34.32 30.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.464 HD21 ' CE2' ' A' ' 71' ' ' TYR . 5.3 mp -136.31 133.94 37.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.862 0.363 . . . . 0.0 110.952 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 58.2 mtt -46.76 -52.46 14.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.2 t -120.57 164.31 16.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.16 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.7 ptt85 -103.8 131.97 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.559 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 26.7 mt -52.05 108.1 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 112' ' ' TYR . 14.0 ptm180 -111.44 -46.3 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.551 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 14.1 m-85 -107.82 87.05 3.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.851 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.77 84.62 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.64 2.227 . . . . 0.0 112.422 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 113' ' ' PRO . 95.3 t -34.06 128.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -78.21 161.58 48.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' MET . 14.6 mt -61.11 -61.93 2.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' LEU . 14.7 mmt -34.35 -63.69 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 47.92 41.49 21.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.2 t -112.95 100.5 8.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 0.0 110.891 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.5 m -84.81 134.97 34.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -152.44 175.06 31.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.444 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -18.29 36.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.634 2.223 . . . . 0.0 112.339 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.0 m -129.31 42.29 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.9 t -113.43 142.54 45.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.51 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -47.58 168.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.836 0.351 . . . . 0.0 110.879 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -84.11 163.48 19.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.93 -122.22 0.64 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.431 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 p -161.14 177.67 10.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 p -79.35 -57.76 3.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.09 62.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.542 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -108.09 103.93 13.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -79.94 83.8 5.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.5 mt -83.14 141.62 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 m -143.27 118.26 10.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -124.7 108.7 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.561 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 49.6 mt -106.91 -33.28 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -46.96 -39.38 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.475 HG13 ' N ' ' A' ' 16' ' ' TYR . 23.4 pt -48.49 -32.83 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 62.9 m-85 -76.34 178.63 6.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -113.95 -33.41 5.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.2 p-90 -73.69 3.32 6.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 14.0 t80 -105.26 81.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.457 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . 49.1 m-70 -78.23 88.54 4.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 10.2 ptm180 -85.1 -40.85 16.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -83.51 58.94 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 20' ' ' HIS . 8.9 pt -146.26 174.43 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.9 t -131.42 164.81 24.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' THR . 6.6 tpp180 -36.74 -50.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.75 -57.37 12.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -48.44 -57.38 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -38.73 -51.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -69.89 -55.68 9.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' LEU . 18.6 t60 -48.9 -63.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' HIS . 53.8 mt -34.6 -52.56 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.8 mt -65.12 -51.69 59.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -44.34 -51.98 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -45.97 -47.58 16.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.42 -42.41 92.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p 47.63 52.52 12.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.47 ' HD2' ' CD1' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -148.75 122.29 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -45.93 124.24 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.85 -39.33 2.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.589 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' N ' ' HB2' ' A' ' 112' ' ' TYR . . . -41.91 108.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 10.9 p90 -126.57 155.84 41.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.418 ' CG1' ' HB3' ' A' ' 55' ' ' SER . 11.1 pt -156.03 157.33 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.15 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.1 t -118.06 103.27 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -97.8 162.61 13.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.77 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -98.5 134.7 41.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.2 m -81.97 74.12 8.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 46' ' ' SER . 26.8 ttp180 -35.09 -34.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -50.31 -54.35 22.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -134.81 175.68 9.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.05 46.33 1.8 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -120.34 -177.35 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.369 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -129.37 167.81 17.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.961 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.419 HG21 ' N ' ' A' ' 54' ' ' ILE . 48.8 m -148.45 149.98 32.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 55' ' ' SER . 33.1 mt -117.72 138.41 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.45 ' N ' HG22 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -119.38 110.6 17.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 57' ' ' PHE . 23.0 t -111.88 146.49 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.506 ' CE1' ' HB2' ' A' ' 66' ' ' ALA . 45.6 t80 -94.4 103.6 15.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.35 -50.52 59.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.491 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . 113.75 138.31 6.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.417 ' HB2' ' C ' ' A' ' 65' ' ' GLU . . . -62.26 78.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.842 0.353 . . . . 0.0 111.148 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLY . 9.0 mmm180 -115.87 -48.38 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -94.45 -46.11 7.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -79.62 172.55 13.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.1 m -72.07 -22.05 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.417 ' C ' ' HB2' ' A' ' 60' ' ' ALA . 1.0 OUTLIER -138.24 -178.21 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.506 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . . . -39.12 159.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -131.21 130.11 42.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.9 mt -134.08 128.31 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -105.42 162.54 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.992 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -133.2 105.03 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.454 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 11.8 m-85 -97.48 113.75 25.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -77.58 136.04 38.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.1 mt -96.78 105.21 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.247 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -100.1 170.69 8.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.433 ' HD2' ' C ' ' A' ' 79' ' ' GLY . 24.1 ttpp -127.71 121.65 30.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -66.01 -173.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -78.04 12.71 1.69 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -116.9 17.79 14.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.433 ' C ' ' HD2' ' A' ' 75' ' ' LYS . . . 57.6 32.65 65.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.464 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -119.28 134.37 55.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.441 ' CG ' HD13 ' A' ' 92' ' ' ILE . 60.3 m95 -79.62 150.08 31.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.567 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 4.2 p90 -160.45 143.93 13.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 71.3 t -105.25 -54.73 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.8 11.29 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.171 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 17.5 tt0 48.42 26.85 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -131.32 -31.99 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -121.38 103.0 8.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -95.28 145.16 25.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.56 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 65.5 m-85 -119.01 -175.57 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -103.12 -21.87 13.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.4 m -143.04 153.39 42.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.697 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 16.9 mm -60.0 -47.99 95.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.714 0.769 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.697 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.0 Cg_endo -69.84 2.96 3.1 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -101.55 -43.06 6.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.56 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 1.8 tt -55.06 -34.89 63.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 24.7 mm -87.75 -21.51 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.5 t-105 -52.35 -46.23 66.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' HIS . 7.9 m-85 -90.8 -53.39 4.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' TYR . 1.1 m80 -36.91 -42.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -40.26 -52.68 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -88.74 -40.16 13.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 104' ' ' ALA . 0.6 OUTLIER -91.99 97.2 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 109' ' ' ARG . . . -64.42 75.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 102' ' ' ASN . . . -90.47 118.79 30.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 116.64 -81.26 0.31 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 107' ' ' MET . 4.5 mm? -109.91 138.22 46.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.854 0.359 . . . . 0.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 106' ' ' LEU . 14.6 mtp -34.54 -54.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.4 m -62.3 141.95 58.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.462 ' HB3' ' CB ' ' A' ' 103' ' ' ALA . 1.0 OUTLIER -122.16 171.85 8.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.574 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 14.5 mt -82.83 103.67 12.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -121.63 -31.5 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.47 ' CD1' ' HD2' ' A' ' 37' ' ' LYS . 26.0 m-85 -108.05 82.41 1.49 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.687 0.756 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.572 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 54.7 Cg_endo -69.78 79.96 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.413 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.3 t -47.35 115.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -89.58 152.24 22.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.448 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 10.2 mp -34.45 -62.29 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.793 0.33 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 116' ' ' LEU . 9.3 mtt -35.8 -65.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 45.65 -172.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 65.4 p 48.87 43.66 21.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 110.787 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 43.4 25.04 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -44.91 121.85 4.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.561 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 5.99 1.46 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.728 2.286 . . . . 0.0 112.41 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.6 p 52.46 43.05 31.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 64.8 p -102.09 151.05 22.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -105.19 123.43 47.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 0.0 110.894 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -68.02 -53.99 21.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.791 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.22 123.57 3.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -174.85 162.96 3.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 110.816 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -63.71 149.4 46.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.24 -92.38 0.97 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -66.12 153.09 43.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.364 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 10' ' ' ILE . 29.1 mttp -131.01 115.6 16.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.4 mp -35.73 122.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.8 p -131.59 36.15 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.192 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -61.62 113.85 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 38.7 mt -115.65 -36.73 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -45.51 -38.3 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 16' ' ' TYR . 37.6 pt -49.15 -35.69 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.473 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 38.2 m-85 -84.47 172.85 11.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 17' ' ' GLU . 15.3 pm0 -106.97 -32.43 7.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.473 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 13.9 p-90 -67.67 -3.18 8.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.521 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 8.2 t80 -99.61 77.6 2.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -67.88 116.46 8.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.69 149.52 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.0 t30 74.74 44.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.8 pt -134.26 -179.4 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.149 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' ARG . 11.9 t -135.57 167.78 20.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' THR . 8.6 tpp85 -38.0 -54.89 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.792 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -50.11 -52.59 33.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -54.25 -56.51 17.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.58 -61.28 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.01 -60.65 3.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' LEU . 86.2 t60 -42.29 -64.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' HIS . 27.9 mt -35.25 -52.85 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.9 mt -57.68 -54.06 51.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -41.11 -53.26 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.2 -44.87 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -77.17 -41.81 40.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m 43.78 46.67 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.7 pttm -140.89 116.73 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' LYS . 9.2 tt0 -36.56 115.96 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.48 -37.13 1.99 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.78 111.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 110' ' ' LEU . 3.2 p90 -135.5 157.48 46.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.471 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 25.6 pt -156.45 158.81 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.2 t -122.96 110.81 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -104.97 159.16 16.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -85.48 143.96 28.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 48' ' ' HIS . 4.0 m -92.16 82.71 5.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' SER . 3.4 mtp85 -35.94 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.595 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -58.5 -53.84 53.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.595 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -148.27 -174.97 4.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.8 42.79 1.34 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.465 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 49' ' ' LEU . 4.6 p -107.26 -177.53 3.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.931 0.396 . . . . 0.0 110.919 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -149.83 141.54 23.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -124.28 131.42 53.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.3 mt -94.62 139.33 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 m -119.19 98.29 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.4 t -101.73 145.16 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.187 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -92.66 117.85 30.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 mmt -86.35 -54.53 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 93.81 115.34 2.54 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.12 119.35 6.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.71 0.291 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.433 ' HD2' ' C ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -88.0 -34.31 18.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.424 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 14.9 tpt180 -67.56 -45.14 76.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 m -126.91 -179.73 4.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.7 m -87.58 37.46 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -95.28 -176.14 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.64 132.28 56.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.53 131.46 56.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.9 mt -135.7 132.88 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.4 174.08 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -143.54 106.6 4.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -100.45 113.75 26.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -82.38 136.65 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 62.5 mt -95.38 106.57 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.179 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -98.4 174.41 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -121.5 139.59 53.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.437 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 29.2 p30 -86.9 -176.26 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -66.88 -31.01 71.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -83.56 17.46 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.77 48.29 79.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.437 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 54.0 mt-30 -121.92 146.35 47.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.474 ' CD2' HD11 ' A' ' 92' ' ' ILE . 93.0 m95 -85.48 136.61 33.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -155.57 157.29 36.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 83.8 t -130.91 -45.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.64 -7.04 58.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.81 25.07 9.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -133.43 -32.08 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -120.5 113.72 20.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -104.49 143.98 32.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 75.5 m-85 -122.37 -175.64 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -112.83 -21.48 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 m -133.61 148.95 51.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.698 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 19.3 mm -59.22 -47.71 97.75 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.686 0.755 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.698 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.2 Cg_endo -69.8 -5.87 17.26 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.661 2.241 . . . . 0.0 112.394 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -92.8 -39.13 11.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 2.8 tt -58.44 -36.66 73.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.401 HG23 ' CD1' ' A' ' 110' ' ' LEU . 20.2 mm -87.92 -17.5 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.3 t-105 -55.19 -46.59 75.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 99' ' ' HIS . 11.9 m-85 -88.21 -54.36 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 98' ' ' TYR . 6.0 m-70 -36.11 -36.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.83 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -43.8 -54.43 5.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -89.6 -47.81 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 103' ' ' ALA . 62.2 m-80 -100.6 85.57 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 102' ' ' ASN . . . -36.74 -41.53 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 43.88 36.32 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.66 -46.42 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 107' ' ' MET . 5.5 mp -141.05 141.78 34.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 106' ' ' LEU . 36.4 ttm -35.44 -50.88 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 90.6 m -78.64 140.81 38.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.21 149.52 49.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 41' ' ' PHE . 23.4 mt -50.01 115.68 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -126.52 -39.5 2.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -107.0 85.15 1.81 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.669 0.747 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.76 83.31 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.718 2.279 . . . . 0.0 112.343 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.471 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 72.3 t -33.96 124.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.15 156.82 47.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.3 -60.83 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.938 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 33.6 mmt -54.21 90.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.422 ' HA3' ' CD2' ' A' ' 31' ' ' LEU . . . -95.86 -99.4 1.82 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.6 t -174.73 157.15 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 m -167.48 171.62 10.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -152.19 146.24 14.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -172.08 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.321 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 25.6 p -152.3 178.08 9.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.747 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.7 m 55.65 42.72 29.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.232 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -107.9 -60.2 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.867 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -117.91 156.99 27.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.55 82.23 0.21 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.8 p -118.47 124.61 48.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 p -84.34 -51.49 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.26 161.68 9.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 m120 64.45 43.74 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -91.29 143.58 26.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' LYS . 5.4 mp -35.97 135.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 m -88.65 96.69 10.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -91.43 108.07 19.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' HB3' ' CD2' ' A' ' 19' ' ' TYR . 95.4 mt -106.4 -38.96 6.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -44.66 -38.98 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.509 HD12 ' CZ ' ' A' ' 16' ' ' TYR . 44.0 pt -47.62 -37.03 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.509 ' CZ ' HD12 ' A' ' 15' ' ' ILE . 13.6 m-85 -80.03 170.22 16.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' HB2' ' CA ' ' A' ' 115' ' ' GLY . 1.3 pm0 -105.08 -33.63 8.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.501 ' CZ3' HG23 ' A' ' 43' ' ' VAL . 20.4 p-90 -65.53 -16.05 63.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 21' ' ' ARG . 8.9 t80 -86.05 76.21 9.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.434 ' CE1' HD23 ' A' ' 31' ' ' LEU . 26.1 m-70 -73.26 100.7 3.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 19' ' ' TYR . 21.3 ptt-85 -100.13 163.94 12.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.461 ' ND2' ' HG3' ' A' ' 21' ' ' ARG . 3.0 m-20 62.34 41.49 10.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.423 ' HB ' ' CB ' ' A' ' 27' ' ' GLN . 18.9 pt -128.51 177.12 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ARG . 10.5 t -130.08 163.38 26.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.0 OUTLIER -34.45 -58.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.84 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -47.78 -51.11 23.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 15.3 mm100 -52.73 -60.77 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.451 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -39.15 -64.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.072 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -56.54 -52.43 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' LEU . 86.6 t60 -47.25 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.451 ' HA ' ' NE2' ' A' ' 34' ' ' GLN . 18.2 mt -34.48 -42.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD1' HG21 ' A' ' 68' ' ' ILE . 55.8 mt -67.34 -55.71 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 6.0 mmm180 -41.44 -48.41 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 31' ' ' LEU . 31.2 mt-30 -44.4 -42.71 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -78.69 -43.6 25.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t 50.4 50.57 18.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.578 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 15.4 ptpt -145.05 140.45 28.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -56.21 125.1 20.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' ALA . . . 122.02 -43.26 1.51 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.462 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . -36.3 109.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 111.154 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 5.8 p90 -133.31 160.31 37.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.463 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 27.5 pt -154.42 164.63 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.501 HG23 ' CZ3' ' A' ' 18' ' ' TRP . 95.4 t -123.53 102.85 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -99.18 165.42 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.24 138.41 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' HIS . 2.0 m -92.04 74.01 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' SER . 37.1 ttp85 -34.58 -36.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.571 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -50.28 -54.61 20.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.836 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.571 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.3 tp -135.23 172.99 12.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.5 45.29 1.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.1 m -123.17 -176.99 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -131.25 170.18 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.8 m -146.27 134.41 21.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.5 mt -100.34 130.58 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.6 m -113.43 101.0 8.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.9 t -100.14 150.19 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -97.14 102.7 14.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.439 ' HG3' ' CE ' ' A' ' 69' ' ' LYS . 5.6 mmt -69.23 -50.35 47.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.34 110.17 2.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.9 175.98 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -63.62 -52.33 61.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -103.22 142.33 34.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.8 p -49.46 -43.66 45.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.2 m -47.39 -22.83 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.094 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -117.48 172.09 7.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.3 169.23 17.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.09 123.01 10.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.467 HG21 ' CD1' ' A' ' 32' ' ' LEU . 20.3 mt -130.01 137.43 56.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.439 ' CE ' ' HG3' ' A' ' 58' ' ' MET . 14.1 mptt -111.9 161.83 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -130.0 110.9 12.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.935 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -107.13 105.29 15.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.12 125.53 29.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 57.9 mt -83.35 113.41 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -99.8 177.66 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.834 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' CD ' ' HA2' ' A' ' 79' ' ' GLY . 1.0 OUTLIER -129.07 139.8 51.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.469 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -94.44 -176.84 4.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -56.54 -31.89 64.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.7 m -80.38 16.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.409 ' HA2' ' CD ' ' A' ' 75' ' ' LYS . . . 48.99 39.34 25.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.482 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.469 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 49.6 mt-30 -111.14 140.33 45.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.414 ' CG ' HD13 ' A' ' 92' ' ' ILE . 75.1 m95 -79.86 140.07 36.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.567 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 5.1 p90 -153.67 154.31 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.449 ' CG2' HD11 ' A' ' 95' ' ' LEU . 92.3 t -112.66 -58.32 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.99 -5.22 33.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.3 mt-10 68.33 25.02 7.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.49 ' HA ' ' CZ ' ' A' ' 86' ' ' ARG . 1.4 mmp_? -133.22 -33.09 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -112.91 104.6 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -96.38 136.5 36.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 77.4 m-85 -112.03 -174.98 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -103.69 -25.51 13.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -139.56 151.6 46.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.682 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.5 mm -59.25 -49.23 93.88 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.604 0.716 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.682 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.78 1.13 4.73 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 0.1 OUTLIER -99.84 -39.86 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.566 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.1 tt -56.05 -38.22 70.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.427 HG22 ' CD1' ' A' ' 110' ' ' LEU . 17.2 mm -81.69 -28.65 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.402 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.8 t-105 -44.09 -45.23 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -85.38 -43.17 13.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -43.09 -39.95 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -55.5 -43.96 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -79.18 -44.8 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.77 117.82 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.44 93.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.87 88.01 7.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 140.18 173.25 13.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 tt -74.24 78.43 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.6 ptp -175.09 162.21 3.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.8 t -62.12 171.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -93.99 118.51 31.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.567 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 16.9 mt -45.96 121.05 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 57.1 mtp85 -116.09 -59.16 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 13.0 m-85 -102.35 96.77 7.61 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.659 0.742 . . . . 0.0 110.937 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 112' ' ' TYR . 53.9 Cg_endo -69.7 79.16 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 90.4 t -38.38 112.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.446 ' CA ' ' HB2' ' A' ' 17' ' ' GLU . . . -102.86 154.95 18.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.508 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 117' ' ' MET . 10.3 mp -42.16 -56.52 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 116' ' ' LEU . 34.4 mtm -34.09 -60.27 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 51.09 -173.28 0.13 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.435 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.0 t -130.86 87.86 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -175.05 172.76 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 150.5 65.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -49.76 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.257 . . . . 0.0 112.319 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 67.3 m -119.06 169.73 9.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 61.1 m -162.09 165.65 26.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.76 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.429 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -81.54 106.23 13.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.796 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.1 m -93.35 173.23 7.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.55 -178.45 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 p -83.74 -58.89 2.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.867 0.365 . . . . 0.0 110.831 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 64.47 39.94 6.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.828 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.52 -110.09 3.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.536 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -95.54 110.43 22.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.07 37.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.9 mt -86.1 141.47 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 m 71.22 51.16 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.195 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -59.06 118.95 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.0 mt -120.93 -27.96 4.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -48.97 -39.22 25.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 16' ' ' TYR . 22.2 pt -52.34 -29.31 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.065 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 41.2 m-85 -80.14 166.99 20.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.56 -32.32 8.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.4 p-90 -75.43 5.87 5.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.41 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 11.7 t80 -104.3 75.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -74.98 102.64 4.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -99.79 157.67 16.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.03 43.58 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 44' ' ' ARG . 16.1 pt -131.11 173.79 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.5 t -133.57 169.24 17.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -41.67 -46.51 3.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -57.22 -49.97 74.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -57.41 -55.16 38.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.52 -59.75 3.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -53.74 -57.19 11.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' LEU . 61.0 t60 -53.56 -66.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' HIS . 23.0 mt -34.25 -54.16 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 48.1 mt -54.37 -52.55 61.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -48.19 -26.63 2.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 18.7 mm-40 -57.67 -36.07 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -88.5 -40.54 13.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.2 p 51.85 46.74 26.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.467 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 3.5 ptpt -146.98 127.96 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -44.05 136.53 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.41 -34.32 5.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.58 108.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.363 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.55 ' CE2' ' HA ' ' A' ' 113' ' ' PRO . 16.0 p90 -132.82 162.56 31.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.456 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 16.8 pt -160.52 156.77 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.3 t -116.68 114.43 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.195 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.401 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 18.7 ptt85 -111.1 162.95 14.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.81 137.91 31.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.4 m -74.03 139.08 44.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -81.59 -46.05 14.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.41 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.5 p80 -50.71 -38.87 49.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.497 HD22 ' N ' ' A' ' 50' ' ' GLY . 0.8 OUTLIER -156.18 176.59 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.497 ' N ' HD22 ' A' ' 49' ' ' LEU . . . -74.11 45.33 1.41 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.13 -177.4 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.863 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.558 ' CD2' HD11 ' A' ' 92' ' ' ILE . 58.8 m-85 -130.01 153.69 48.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.4 m -145.29 134.75 23.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.1 mt -102.69 131.33 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.3 m -114.16 102.37 10.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 57' ' ' PHE . 33.2 t -101.5 148.02 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.522 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 55.6 t80 -99.8 110.36 22.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mmt -69.09 -54.19 16.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.522 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . 107.47 145.23 11.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.85 82.88 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 111.1 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 63' ' ' SER . 18.5 mmt180 -90.05 85.5 6.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 61' ' ' ARG . 13.7 mmp_? 35.04 35.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 61' ' ' ARG . 28.4 p -128.77 -54.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 65' ' ' GLU . 24.5 p -160.32 151.69 19.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.114 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' ALA . 34.3 mt-10 -44.33 169.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' GLU . . . -32.48 119.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.063 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.4 133.72 51.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.05 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.8 mt -135.2 126.21 45.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.503 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 11.9 mptt -101.31 167.19 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -139.22 107.2 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.503 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 2.3 m-85 -100.2 104.87 16.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -74.93 124.9 27.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.414 HG12 ' CG1' ' A' ' 83' ' ' VAL . 19.0 mt -85.58 101.9 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.071 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.465 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 1.1 mppt? -96.41 172.38 7.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -125.07 139.03 54.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.459 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -97.56 -177.12 3.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.54 -31.34 64.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.4 m -80.79 18.47 0.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 47.1 41.26 14.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.438 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.459 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 60.0 mt-30 -112.32 137.72 50.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.931 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.407 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 85.4 m95 -82.43 132.91 35.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.472 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.8 p90 -151.88 155.61 38.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.414 ' CG1' HG12 ' A' ' 73' ' ' ILE . 5.1 m -125.3 -43.58 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.12 -2.33 36.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.435 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.3 mt-10 59.08 25.0 13.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -132.97 -32.34 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -120.74 114.58 21.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -105.84 135.93 46.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.563 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 54.5 m-85 -110.82 -175.84 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -104.05 -27.9 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.0 m -135.95 155.58 50.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.673 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.2 mm -60.44 -48.91 92.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.074 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.9 Cg_endo -69.71 2.58 3.38 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -99.35 -42.77 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.965 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.563 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 1.3 tt -55.49 -34.68 64.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.454 HG21 ' CD1' ' A' ' 110' ' ' LEU . 7.0 mm -88.81 -19.47 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.061 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -54.46 -47.4 72.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -84.22 -49.84 8.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -40.64 -39.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -56.15 -41.38 75.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -82.9 -55.28 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -79.29 -177.53 5.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -114.17 41.21 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.12 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.68 172.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.88 -91.68 0.7 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 107' ' ' MET . 7.2 mp -120.63 156.66 31.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 106' ' ' LEU . 7.8 mmt -34.69 -39.74 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 109' ' ' ARG . 97.4 m -79.67 143.37 34.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.412 ' N ' HG22 ' A' ' 108' ' ' THR . 40.6 ptt85 -117.98 141.63 48.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.454 ' CD1' HG21 ' A' ' 96' ' ' ILE . 53.0 mt -44.81 134.62 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.466 ' HG3' ' CD2' ' A' ' 112' ' ' TYR . 0.7 OUTLIER -134.98 -50.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.467 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 11.1 m-85 -105.53 90.17 3.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.685 0.755 . . . . 0.0 110.856 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.55 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.86 79.6 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.66 2.24 . . . . 0.0 112.293 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.456 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 69.7 t -48.16 123.36 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.56 -179.16 33.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.18 -62.48 1.37 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.82 0.343 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 10.7 ptp -55.94 -51.38 67.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.783 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 69.39 -82.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.6 p -132.59 149.88 52.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.5 p -87.0 179.14 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.21 174.96 54.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 2.7 3.25 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.262 . . . . 0.0 112.362 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.4 p -41.68 -49.07 4.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.4 m -93.08 130.15 38.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 m -119.09 81.91 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.838 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t 39.38 42.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.808 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.75 71.64 0.28 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.524 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -82.83 -56.25 3.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.879 0.371 . . . . 0.0 110.879 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -111.25 152.06 27.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.47 124.21 0.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.539 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -156.92 172.95 17.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.92 145.56 2.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.471 HG21 ' N ' ' A' ' 11' ' ' THR . 62.9 mt -49.47 149.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.471 ' N ' HG21 ' A' ' 10' ' ' ILE . 74.3 p -95.79 -50.74 4.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.457 ' CG ' ' C ' ' A' ' 11' ' ' THR . 0.8 OUTLIER 48.58 54.89 9.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 6.5 mt -72.19 -20.73 61.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -47.1 -36.16 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 16' ' ' TYR . 31.5 pt -52.53 -33.23 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.461 ' N ' HG13 ' A' ' 15' ' ' ILE . 63.4 m-85 -77.49 -178.21 5.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.84 -36.42 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -68.11 -2.29 7.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.575 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 5.5 t80 -97.23 89.42 4.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.412 ' CD2' HG21 ' A' ' 42' ' ' ILE . 42.5 m-70 -82.44 106.49 14.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 7.2 ptm180 -109.02 155.2 21.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 73.26 40.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.0 pt -133.08 178.2 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.4 t -133.81 164.58 26.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 24' ' ' THR . 20.4 ttt180 -36.54 -53.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -51.01 -51.0 57.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -57.34 -57.99 10.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.41 -48.9 3.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -69.08 -57.4 5.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 2.6 t-160 -45.98 -60.05 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.6 mt -41.01 -47.22 3.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.485 ' CD1' HG22 ' A' ' 68' ' ' ILE . 6.6 mt -66.77 -46.1 76.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -43.2 -43.11 4.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -56.51 -44.26 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.78 -54.17 45.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.569 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 45.9 p 52.82 52.17 14.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.55 119.29 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' O ' ' NE ' ' A' ' 111' ' ' ARG . 20.9 tt0 -43.23 117.97 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.69 -36.3 2.09 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.39 113.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' ' 113' ' ' PRO . 6.4 p90 -133.44 155.31 49.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.412 HG21 ' CD2' ' A' ' 20' ' ' HIS . 16.2 pt -150.62 164.78 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.7 t -122.59 105.78 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 44' ' ' ARG . 1.6 ptm85 -101.98 161.62 13.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.4 OUTLIER -93.59 142.14 27.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' HIS . 2.5 m -92.45 76.09 5.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -35.26 -32.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.55 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -53.05 -52.7 57.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.55 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 1.2 tp -137.86 177.17 8.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.42 45.7 1.83 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.8 m -124.78 -177.72 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.371 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -133.29 170.54 15.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.937 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 54' ' ' ILE . 24.7 m -146.43 146.12 30.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.419 ' N ' HG23 ' A' ' 53' ' ' THR . 38.7 mt -105.5 140.59 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -124.31 100.81 6.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG11 ' N ' ' A' ' 57' ' ' PHE . 19.7 t -102.63 147.95 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 36' ' ' SER . 44.2 t80 -95.31 96.43 9.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.816 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.0 mmt -59.33 -50.46 73.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.467 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . 123.75 143.12 6.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.439 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.446 ' HB2' ' N ' ' A' ' 66' ' ' ALA . . . -82.07 78.49 8.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 111.128 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -85.55 -59.91 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.478 ' O ' ' C ' ' A' ' 63' ' ' SER . 1.2 tmt_? -68.41 154.74 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 62' ' ' ARG . 3.0 t -31.03 -41.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' ARG . 44.9 p -49.38 176.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.422 ' C ' ' HB2' ' A' ' 60' ' ' ALA . 58.6 mt-10 -88.06 -174.42 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.461 ' HB3' ' CE1' ' A' ' 57' ' ' PHE . . . -36.4 155.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.58 124.15 41.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.485 HG22 ' CD1' ' A' ' 32' ' ' LEU . 16.7 mt -130.52 128.14 63.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -102.02 155.64 18.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -125.88 106.24 9.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -98.6 103.53 15.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -74.72 119.54 19.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.2 mt -80.49 99.92 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -97.79 178.07 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -113.21 130.93 56.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.506 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -82.47 -174.88 5.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.412 ' C ' ' H ' ' A' ' 79' ' ' GLY . 88.9 m-20 -61.28 -31.11 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 m -77.31 13.69 1.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 77' ' ' ASP . . . 54.53 34.44 55.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.474 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.507 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 6.2 mm100 -119.96 159.62 24.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.726 0.298 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -81.02 144.57 31.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.493 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 16.3 p90 -158.85 155.21 27.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 76.4 t -125.4 -53.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.26 2.32 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.493 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 2.2 mt-10 57.48 26.31 12.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -134.95 -32.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -123.87 129.9 51.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.801 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.449 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -117.92 168.92 10.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.563 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 25.2 m-85 -144.88 170.02 16.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.798 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.491 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 44.4 mt-30 -94.55 -17.29 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -137.86 147.29 44.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.689 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 13.1 mm -60.17 -48.06 95.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.622 0.725 . . . . 0.0 111.2 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.689 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.3 Cg_endo -69.92 0.73 5.34 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.627 2.218 . . . . 0.0 112.315 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -98.47 -39.95 8.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.6 tt -57.2 -35.34 69.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 8.8 mm -87.56 -20.52 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -52.93 -44.88 67.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.988 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -85.81 -52.15 5.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.54 ' CE1' ' HB2' ' A' ' 104' ' ' ALA . 7.8 m-70 -38.84 -34.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -54.15 -53.62 50.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -74.72 -54.82 6.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -99.65 135.92 40.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -80.78 113.36 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.54 ' HB2' ' CE1' ' A' ' 99' ' ' HIS . . . -127.62 40.47 3.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -142.72 -149.25 5.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 108' ' ' THR . 4.5 mm? -66.88 76.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 106' ' ' LEU . 63.4 mtt 37.13 29.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.48 HG22 ' N ' ' A' ' 109' ' ' ARG . 94.6 m -120.5 138.73 53.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.13 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.48 ' N ' HG22 ' A' ' 108' ' ' THR . 10.5 ttp180 -117.69 92.07 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.511 HD12 ' CE2' ' A' ' 41' ' ' PHE . 46.9 mt -32.52 109.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.441 ' NE ' ' O ' ' A' ' 38' ' ' GLU . 16.1 ptt180 -122.71 -32.01 3.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -109.19 83.68 2.47 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.683 0.754 . . . . 0.0 110.942 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.53 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.77 79.56 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.1 t -46.21 111.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.69 160.83 50.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 mt -39.82 -61.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 14.3 mtt -57.56 89.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -147.85 39.57 1.0 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.9 m -141.26 173.38 11.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.8 m -162.1 178.22 9.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.776 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -176.73 125.86 1.07 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.527 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -49.5 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.241 . . . . 0.0 112.35 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.1 t -164.47 128.32 2.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.3 m -129.69 109.89 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.5 t -89.78 99.3 12.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.949 0.404 . . . . 0.0 110.836 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -94.42 41.99 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.74 -162.21 1.71 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m 50.26 42.84 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.925 0.393 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 m -52.73 -59.02 4.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.35 -129.82 9.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.437 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -76.67 134.27 39.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.52 114.13 28.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.59 147.5 8.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.186 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 m -134.92 94.97 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.08 112.06 23.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 32.1 mt -116.5 -31.69 5.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -42.98 -40.88 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.517 HD12 ' CE1' ' A' ' 16' ' ' TYR . 37.0 pt -45.84 -39.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.517 ' CE1' HD12 ' A' ' 15' ' ' ILE . 23.2 m-85 -75.09 164.34 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -102.95 -29.28 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.437 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 17.2 p-90 -71.49 -10.66 60.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.498 ' CG ' ' O ' ' A' ' 19' ' ' TYR . 3.8 t80 -87.93 74.49 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.561 ' CE1' HG11 ' A' ' 114' ' ' VAL . 11.4 m-70 -70.14 110.89 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.62 156.99 22.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.0 t30 69.79 39.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.4 pt -129.82 176.99 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 25' ' ' ARG . 13.7 t -131.67 162.13 31.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.5 tpp85 -35.72 -52.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -53.03 -51.72 60.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -55.5 -53.58 54.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.08 -58.38 4.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -62.95 -60.46 3.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.457 ' CD2' HE21 ' A' ' 34' ' ' GLN . 82.1 t60 -44.08 -63.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' HIS . 53.2 mt -35.41 -50.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.7 mt -58.59 -51.21 70.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -41.42 -43.98 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.457 HE21 ' CD2' ' A' ' 30' ' ' HIS . 38.0 mt-30 -51.67 -40.44 60.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' HB3' ' NZ ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -73.51 -47.66 39.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 6.1 m 52.91 47.24 25.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.565 ' HD2' ' CD1' ' A' ' 112' ' ' TYR . 7.3 ptpp? -144.24 153.25 41.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -76.81 115.13 16.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.52 -33.59 2.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.53 132.04 25.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 111.058 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 9.4 p90 -153.58 158.77 41.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.2 pt -158.16 156.8 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.1 t -120.2 108.5 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -98.11 164.29 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.53 134.65 40.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' LEU . 73.1 m -72.3 135.17 45.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -79.2 -45.68 19.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.3 p80 -52.83 -39.44 62.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 6.4 tp -154.88 178.06 10.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.53 45.68 1.57 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.57 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 m -95.63 179.58 5.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.908 0.385 . . . . 0.0 110.82 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.429 ' HB2' ' CD1' ' A' ' 73' ' ' ILE . 41.0 m-85 -140.18 139.06 35.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.1 m -130.02 129.31 43.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 11.7 mt -92.44 146.53 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.206 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.2 m -132.11 100.42 5.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.9 t -99.34 150.92 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 28.8 t80 -98.66 120.82 39.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.408 ' CG ' ' HD3' ' A' ' 69' ' ' LYS . 10.8 mmt -89.56 -49.75 6.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.406 ' CA ' ' CE1' ' A' ' 57' ' ' PHE . . . 88.89 119.33 1.66 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.524 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.46 177.67 8.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -81.75 41.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -175.0 152.27 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.1 t -71.12 -47.9 55.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.0 t -58.27 -18.25 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.091 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -114.06 161.38 17.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.55 150.2 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -120.71 134.47 55.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.5 mt -138.54 134.38 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.09 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 1.2 mptp? -101.72 164.54 11.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -138.11 105.03 5.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 4.7 m-85 -101.17 134.91 43.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -99.93 144.39 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.429 ' CD1' ' HB2' ' A' ' 52' ' ' TYR . 65.8 mt -108.21 110.97 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -118.12 165.14 14.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -112.68 131.28 55.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.424 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -82.63 -177.94 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -58.36 -30.39 66.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -80.71 16.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 49.56 51.36 27.92 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.424 ' HB2' ' ND2' ' A' ' 76' ' ' ASN . 86.6 mt-30 -130.54 142.22 50.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -79.6 138.87 37.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.516 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 8.6 p90 -155.01 160.31 40.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 88.3 t -125.39 -50.17 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.455 ' HB2' ' CD2' ' A' ' 106' ' ' LEU . . . -78.1 1.79 20.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.516 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 2.3 mt-10 60.88 24.94 14.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -133.25 -32.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -115.32 116.67 28.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -106.78 142.11 36.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.523 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 54.3 m-85 -118.84 -175.67 2.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -110.02 -24.44 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 m -134.72 151.5 51.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.661 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 9.8 mm -59.73 -49.27 92.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.9 Cg_endo -69.71 -1.13 7.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -96.55 -38.98 9.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.523 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.3 tt -57.38 -38.17 73.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.43 HD13 ' CD2' ' A' ' 95' ' ' LEU . 17.0 mm -84.36 -24.92 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -47.07 -44.84 21.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.487 ' O ' ' N ' ' A' ' 100' ' ' GLN . 4.8 m-85 -86.67 -54.59 4.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 98' ' ' TYR . 0.7 OUTLIER -34.38 -33.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 98' ' ' TYR . 30.5 mt-30 -64.89 -53.9 39.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 98' ' ' TYR . 3.5 m170 -64.96 -47.3 78.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -134.11 145.14 49.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -81.72 93.64 6.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.45 83.11 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 61.24 7.0 8.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 84' ' ' ALA . 4.4 mm? -105.61 160.69 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.496 ' O ' ' C ' ' A' ' 108' ' ' THR . 3.2 tpp -55.96 -178.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.818 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.496 ' C ' ' O ' ' A' ' 107' ' ' MET . 67.9 m -30.23 137.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -63.87 171.15 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.563 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 9.2 mt -94.67 123.52 38.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.9 ptt180 -126.88 -23.9 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.565 ' CD1' ' HD2' ' A' ' 37' ' ' LYS . 14.0 m-85 -110.87 84.35 4.21 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.656 0.741 . . . . 0.0 110.972 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.505 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 54.1 Cg_endo -69.73 79.75 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.615 2.21 . . . . 0.0 112.325 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.561 HG11 ' CE1' ' A' ' 20' ' ' HIS . 69.4 t -37.93 121.62 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.76 163.4 40.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 117' ' ' MET . 12.6 mt -72.47 -60.21 2.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.778 0.323 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 116' ' ' LEU . 11.1 ptp -34.46 -49.61 0.4 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 117' ' ' MET . . . 34.36 44.18 0.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.451 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 m -68.72 129.27 39.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.94 0.4 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.3 t -127.02 -62.63 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 172.95 124.65 0.79 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.71 -49.21 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.292 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -173.29 179.56 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.1 t -144.64 175.44 10.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.817 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -63.82 -61.09 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.397 . . . . 0.0 110.828 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -85.84 -45.35 11.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.884 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.99 76.05 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -137.03 105.09 5.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.926 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -174.69 142.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.37 96.79 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.428 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -174.72 125.12 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.382 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -174.11 150.36 1.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.8 mt -50.75 140.38 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 m -116.63 83.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -104.22 128.08 51.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.554 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 35.0 mt -110.69 -26.36 9.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -45.49 -41.44 9.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.438 HG13 ' N ' ' A' ' 16' ' ' TYR . 45.3 pt -49.19 -35.48 8.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.039 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.544 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 44.3 m-85 -74.35 167.97 20.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -105.55 -30.31 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.41 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 10.0 p-90 -75.28 4.91 6.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.554 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 12.8 t80 -108.24 78.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 23.8 m-70 -77.45 90.33 3.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.804 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 4.5 ptm180 -84.09 -39.08 19.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 49.7 t-20 -83.51 59.41 5.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' A' ' 20' ' ' HIS . 8.1 pt -150.06 176.59 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 25' ' ' ARG . 13.6 t -133.62 165.67 24.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 24' ' ' THR . 10.3 ttp-105 -33.66 -58.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -50.39 -62.57 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -41.27 -53.59 3.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.38 -63.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -58.91 -59.57 5.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' LEU . 4.5 t60 -43.7 -65.67 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' HIS . 71.0 mt -34.73 -52.03 0.51 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 35' ' ' GLU . 80.3 mt -59.32 -51.35 70.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -39.38 -48.96 1.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -54.4 -39.09 66.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' LEU . 4.8 mm-40 -67.45 -47.73 69.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.558 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 9.8 t 46.28 54.66 8.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.461 ' CD ' ' CD2' ' A' ' 112' ' ' TYR . 10.1 ptpt -155.23 123.39 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -45.71 121.55 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.42 -40.89 1.68 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.19 106.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 6.5 p90 -130.97 164.02 26.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.8 pt -161.51 160.56 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.075 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.1 t -120.33 105.45 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.134 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 33.3 ptt85 -100.39 166.24 11.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.47 152.13 22.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' HIS . 28.4 m -89.36 85.01 6.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' SER . 6.0 mmm180 -35.89 -30.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.509 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -64.12 -63.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.509 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 12.6 mt -135.56 -174.86 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.04 49.0 2.12 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.4 t -108.61 -178.66 3.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.382 . . . . 0.0 110.816 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -134.79 144.48 47.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.938 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.0 m -133.83 139.82 46.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.3 mt -107.24 143.37 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 m -125.4 100.36 6.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.456 HG13 ' N ' ' A' ' 57' ' ' PHE . 19.8 t -95.22 136.21 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.558 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 50.3 t80 -85.19 94.24 8.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ALA . 4.8 mtt -65.42 -48.18 73.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.466 ' N ' ' HB3' ' A' ' 67' ' ' ALA . . . 90.48 140.79 8.68 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.46 ' CB ' ' HB2' ' A' ' 65' ' ' GLU . . . -69.38 177.31 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.113 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 62' ' ' ARG . 12.4 mmt180 -81.51 94.95 6.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ARG . 15.8 mmt180 37.93 45.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.2 m -135.38 162.55 32.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.1 p -59.92 -24.1 64.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 60' ' ' ALA . 33.9 mt-10 -57.08 178.25 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.64 147.32 35.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.466 ' HB3' ' N ' ' A' ' 59' ' ' GLY . . . -125.2 123.45 39.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.6 mt -132.79 126.86 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.43 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -103.04 158.8 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.805 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -124.4 110.39 14.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 6.7 m-85 -104.29 116.66 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -84.43 120.08 25.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 80.2 mt -77.51 100.05 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.189 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -97.3 177.51 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -117.12 131.59 56.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.476 ' OD1' ' N ' ' A' ' 78' ' ' SER . 35.1 p30 -74.95 -174.97 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -67.48 -33.07 74.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.476 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 1.8 m -72.41 -10.04 59.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . 84.9 33.66 17.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.501 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 6.0 mm100 -117.75 158.96 23.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.773 0.32 . . . . 0.0 110.988 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.435 ' CD2' HD13 ' A' ' 92' ' ' ILE . 41.5 m95 -82.35 145.04 30.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -158.29 153.71 25.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.436 ' CG2' HD13 ' A' ' 95' ' ' LEU . 87.0 t -121.54 -51.73 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.06 15.61 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.05 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 44.72 28.5 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -133.35 -32.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -126.36 124.33 40.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.403 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -111.71 168.84 9.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 28.3 m-85 -143.26 170.38 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.484 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 37.5 mt-30 -94.96 -17.67 21.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -138.85 149.24 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.684 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 11.7 mm -60.3 -47.95 95.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.684 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.76 0.53 5.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -97.91 -39.75 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.0 tt -57.73 -35.85 71.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.3 mm -85.81 -21.21 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.062 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 20.5 t-105 -52.39 -52.38 53.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -85.31 -51.28 6.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.452 ' CD2' ' HB1' ' A' ' 104' ' ' ALA . 1.6 m80 -41.07 -38.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -39.8 -44.57 1.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -98.48 -37.65 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.03 127.05 35.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.452 ' CB ' ' HG3' ' A' ' 109' ' ' ARG . . . -78.84 45.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.062 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.452 ' HB1' ' CD2' ' A' ' 99' ' ' HIS . . . -34.07 115.63 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 76.8 -93.18 1.04 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 106' ' ' LEU . 4.4 mm? -56.46 -175.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -101.62 -43.57 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 85.5 m -65.0 136.78 57.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.452 ' HG3' ' CB ' ' A' ' 103' ' ' ALA . 13.6 mtm180 -114.8 168.23 10.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.561 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 7.1 mt -88.19 113.38 23.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.7 mtt-85 -114.54 -49.8 2.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.461 ' CD2' ' CD ' ' A' ' 37' ' ' LYS . 9.7 m-85 -104.59 93.32 5.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.66 0.743 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.71 80.47 0.86 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.371 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 113' ' ' PRO . 59.1 t -34.18 124.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.99 161.93 44.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.571 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.5 mt -62.85 -60.25 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.457 ' C ' ' O ' ' A' ' 116' ' ' LEU . 9.3 mmt -34.12 -63.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 48.52 -101.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.3 p -174.58 142.31 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.92 0.391 . . . . 0.0 110.83 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 t -174.98 152.91 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -152.65 83.41 0.16 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.548 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 119.12 6.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.771 2.314 . . . . 0.0 112.304 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -128.94 123.64 33.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 t -152.46 124.36 7.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.448 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.594 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 59.1 mt -113.93 -35.42 5.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -45.86 -35.01 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 16' ' ' TYR . 40.5 pt -53.67 -37.3 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.464 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 63.2 m-85 -73.92 -176.15 2.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.515 ' O ' HD12 ' A' ' 116' ' ' LEU . 4.6 pt-20 -116.62 -39.53 3.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.412 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 12.4 p-90 -65.22 -5.29 6.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 16.6 t80 -96.69 82.94 3.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.55 ' HB3' HD13 ' A' ' 23' ' ' ILE . 24.5 m-70 -77.43 100.94 6.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -98.83 161.89 13.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m120 62.39 43.25 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.607 HD11 ' HB3' ' A' ' 44' ' ' ARG . 9.7 pt -131.7 174.75 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.525 HG22 ' HG2' ' A' ' 27' ' ' GLN . 15.3 t -133.7 165.78 24.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' THR . 15.7 ttp180 -34.21 -58.81 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -47.22 -51.48 18.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.525 ' HG2' HG22 ' A' ' 24' ' ' THR . 19.9 mm100 -55.53 -60.04 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.66 -62.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.86 -60.39 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -37.59 -54.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.427 HD13 ' CE1' ' A' ' 20' ' ' HIS . 42.3 mt -50.63 -50.41 54.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.595 HD21 HG12 ' A' ' 42' ' ' ILE . 52.4 mt -61.08 -46.87 88.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -46.26 -39.79 10.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -59.15 -44.59 92.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.502 ' OE2' ' CE ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -70.98 -45.58 63.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.548 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 43.1 p 43.14 48.38 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.569 ' HD2' ' CD1' ' A' ' 112' ' ' TYR . 11.8 pttt -146.69 123.16 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -40.36 119.76 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.61 -40.0 1.88 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.47 104.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.646 ' CB ' HG22 ' A' ' 56' ' ' VAL . 6.2 p90 -125.43 167.4 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.678 HG23 ' HB ' ' A' ' 114' ' ' VAL . 5.0 pt -159.81 175.19 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.449 HG22 HG12 ' A' ' 54' ' ' ILE . 95.7 t -140.02 123.53 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.607 ' HB3' HD11 ' A' ' 23' ' ' ILE . 6.9 ptm180 -130.71 173.78 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.87 155.92 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' HIS . 0.8 OUTLIER -93.86 93.82 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.2 tpm_? -37.45 -26.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.614 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -74.31 -54.01 8.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.614 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 10.4 tp -131.31 166.63 20.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -73.58 45.86 1.31 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -108.29 -177.04 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -133.41 137.09 45.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.8 m -120.62 140.36 51.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.449 HG12 HG22 ' A' ' 43' ' ' VAL . 26.6 mt -100.53 125.0 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.12 108.54 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.646 HG22 ' CB ' ' A' ' 41' ' ' PHE . 29.0 t -110.23 155.54 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.548 ' CE2' ' HA ' ' A' ' 36' ' ' SER . 63.1 t80 -103.35 110.95 23.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' ALA . 7.0 mmt -81.88 -37.5 26.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.571 ' N ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.403 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.774 0.321 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.571 ' HB3' ' N ' ' A' ' 59' ' ' GLY . . . -143.34 127.12 17.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.42 ' CG2' HD12 ' A' ' 32' ' ' LEU . 20.8 mt -132.49 127.03 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -102.12 163.29 12.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -134.11 104.74 6.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.801 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.638 ' HB3' HG13 ' A' ' 83' ' ' VAL . 17.9 m-85 -98.01 102.16 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.61 126.46 29.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.529 HG12 HG22 ' A' ' 83' ' ' VAL . 69.8 mt -87.32 109.29 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -99.76 174.92 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.429 ' CG ' ' HA2' ' A' ' 79' ' ' GLY . 23.3 ttpp -129.72 142.91 50.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.947 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -98.9 -178.72 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -31.92 61.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.405 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 3.2 m -79.6 14.06 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.429 ' HA2' ' CG ' ' A' ' 75' ' ' LYS . . . 50.66 42.73 45.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.527 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.528 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 26.8 mt-30 -116.38 135.92 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.417 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 72.1 m95 -80.07 138.7 37.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 3.9 p90 -150.14 142.68 24.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.974 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.638 HG13 ' HB3' ' A' ' 71' ' ' TYR . 77.9 t -108.02 -43.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.69 9.05 28.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 14.0 tt0 50.97 25.97 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -131.26 -32.19 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -120.27 109.81 15.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -99.63 138.67 36.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 72.2 m-85 -113.89 -176.1 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -106.82 -21.43 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -139.69 150.9 45.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.709 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 16.0 mm -58.63 -48.38 96.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.607 0.718 . . . . 0.0 111.087 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.709 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.65 -2.73 10.59 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.411 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 9.1 mt-10 -95.93 -37.06 10.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.634 HD11 HG23 ' A' ' 83' ' ' VAL . 2.5 tt -59.99 -37.56 80.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.3 mm -85.97 -17.93 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.405 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.0 t-105 -54.52 -44.26 72.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 99' ' ' HIS . 9.0 m-85 -87.33 -52.71 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 98' ' ' TYR . 11.1 m80 -34.9 -47.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -47.49 -46.68 27.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 98' ' ' TYR . 7.3 m-70 -76.49 -36.83 57.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.3 p30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.5 ttm180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.878 0.371 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.487 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 23.5 mt -35.24 122.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.404 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 83.9 mtt180 -114.68 -52.52 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.569 ' CD1' ' HD2' ' A' ' 37' ' ' LYS . 27.9 m-85 -104.83 92.02 4.8 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.694 0.759 . . . . 0.0 110.993 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.472 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 53.9 Cg_endo -69.76 79.93 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.238 . . . . 0.0 112.349 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.678 ' HB ' HG23 ' A' ' 42' ' ' ILE . 66.0 t -47.94 113.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -101.49 162.74 17.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 17' ' ' GLU . 10.0 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.9 p30 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.534 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 58.3 mt -109.26 -34.05 6.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -47.18 -35.14 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 16' ' ' TYR . 31.6 pt -51.23 -34.23 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.486 ' N ' HG13 ' A' ' 15' ' ' ILE . 62.9 m-85 -74.22 -174.94 2.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.87 -34.29 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.432 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 8.7 p-90 -73.92 3.32 6.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 18.5 t80 -106.91 87.99 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.935 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 23.2 m-70 -86.17 95.51 9.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 8.5 ptm180 -90.37 -43.5 10.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -75.78 54.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' A' ' 20' ' ' HIS . 7.2 pt -148.85 172.28 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 t -129.38 165.39 21.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -37.3 -50.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -55.53 -54.45 43.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -52.1 -57.04 10.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.41 -64.42 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.478 ' HG2' HG21 ' A' ' 68' ' ' ILE . 16.1 mt-10 -56.5 -59.13 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' LEU . 44.1 t60 -43.33 -65.8 0.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' HIS . 74.1 mt -34.29 -54.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.67 HD22 ' HB1' ' A' ' 40' ' ' ALA . 39.4 mt -62.56 -48.07 81.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.62 ' CD ' ' HB3' ' A' ' 66' ' ' ALA . 52.3 mmm-85 -47.54 -49.4 26.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -56.55 -46.35 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -62.46 -46.88 86.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 5.4 t 51.83 51.91 15.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -144.18 115.32 7.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -39.28 150.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . 99.31 -44.35 1.69 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.67 ' HB1' HD22 ' A' ' 32' ' ' LEU . . . -33.44 104.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 111.094 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 113' ' ' PRO . 1.4 p90 -133.45 131.91 40.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.6 pt -136.75 146.19 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.781 HG22 HG12 ' A' ' 54' ' ' ILE . 70.8 t -101.7 99.0 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -91.83 164.39 13.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -92.04 137.43 32.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.798 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.2 m -77.49 136.15 38.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -84.26 -46.16 12.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -50.44 -32.95 19.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.497 ' HG ' ' N ' ' A' ' 50' ' ' GLY . 52.3 tp -162.8 171.11 17.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.497 ' N ' ' HG ' ' A' ' 49' ' ' LEU . . . -72.7 46.69 1.14 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.503 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -97.38 -176.98 3.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -130.72 130.88 44.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -131.72 138.08 48.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.781 HG12 HG22 ' A' ' 43' ' ' VAL . 17.5 mt -102.88 144.21 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.409 ' O ' HD11 ' A' ' 32' ' ' LEU . 3.4 m -119.61 99.94 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.33 150.01 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.574 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 56.5 t80 -101.62 117.79 35.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.416 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 4.1 mmt -79.05 -51.29 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.795 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.574 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.62 ' HB3' ' CD ' ' A' ' 33' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.851 0.358 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.416 ' HB3' ' HB2' ' A' ' 58' ' ' MET . . . -130.41 128.09 40.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.478 HG21 ' HG2' ' A' ' 29' ' ' GLU . 20.7 mt -133.63 127.43 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -102.62 158.82 15.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -124.03 104.74 9.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -99.41 108.35 20.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -85.01 125.66 32.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.466 HD11 HD11 ' A' ' 54' ' ' ILE . 73.3 mt -81.9 112.58 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -97.78 179.33 4.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.428 ' NZ ' ' CE2' ' A' ' 81' ' ' TRP . 8.4 ttmm -126.49 140.51 52.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.443 ' C ' ' OD1' ' A' ' 76' ' ' ASN . 24.7 p-10 -88.84 -175.1 4.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.78 -30.19 69.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -85.21 19.38 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.09 51.03 58.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.622 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 68.4 mt-30 -125.0 137.67 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.883 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.442 ' HE3' HG22 ' A' ' 73' ' ' ILE . 91.7 m95 -79.89 142.81 34.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.443 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.9 p90 -158.3 157.13 31.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.97 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.452 ' CG2' HG12 ' A' ' 73' ' ' ILE . 39.0 t -121.12 -46.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.175 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.83 16.49 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 45.27 26.49 0.27 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -130.19 -31.13 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -120.25 113.8 20.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.762 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.622 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -107.06 139.08 42.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.517 ' CG ' ' HA ' ' A' ' 95' ' ' LEU . 86.4 m-85 -117.23 -175.39 2.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -106.65 -24.46 12.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.3 m -136.73 150.2 48.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.713 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 19.7 mm -59.48 -47.9 96.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.595 0.712 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.713 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.6 Cg_endo -69.77 -5.16 15.54 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 0.1 OUTLIER -93.36 -39.95 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.597 HD23 HD13 ' A' ' 96' ' ' ILE . 1.5 tt -55.92 -38.79 70.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.597 HD13 HD23 ' A' ' 95' ' ' LEU . 17.8 mm -83.83 -28.27 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.403 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.9 t-105 -43.33 -44.75 5.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.439 ' CE2' ' OD1' ' A' ' 102' ' ' ASN . 9.0 t80 -91.17 -52.72 4.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.574 ' HB3' HD12 ' A' ' 110' ' ' LEU . 2.0 t-80 -36.99 -35.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.447 ' HG3' HG22 ' A' ' 96' ' ' ILE . 21.2 mt-30 -53.27 -48.29 68.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -103.98 39.76 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.439 ' OD1' ' CE2' ' A' ' 98' ' ' TYR . 21.7 m120 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.769 0.319 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' A' ' 99' ' ' HIS . 12.3 mt -85.17 77.99 9.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 39' ' ' GLY . 31.8 ptt180 -115.9 164.57 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.435 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 3.0 m-85 61.94 55.02 2.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.742 0.782 . . . . 0.0 110.979 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.74 88.39 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.7 t -42.29 129.97 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -81.18 161.89 43.74 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.576 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 11.9 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.914 0.388 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.644 HD21 ' HD3' ' A' ' 93' ' ' PRO . 94.3 mt -109.09 -32.98 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -44.43 -42.81 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.481 HG13 ' N ' ' A' ' 16' ' ' TYR . 41.6 pt -40.93 -35.02 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.481 ' N ' HG13 ' A' ' 15' ' ' ILE . 57.8 m-85 -78.72 179.41 7.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -113.74 -32.19 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.479 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 11.2 p-90 -72.35 0.98 8.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.531 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 14.6 t80 -106.3 84.63 2.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.627 ' HB3' HG21 ' A' ' 23' ' ' ILE . 27.3 m-70 -82.72 91.36 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.514 ' HD2' ' CE2' ' A' ' 19' ' ' TYR . 4.4 ptm180 -85.28 -48.33 9.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -76.36 59.83 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' A' ' 44' ' ' ARG . 9.3 pt -147.31 176.41 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' ARG . 10.2 t -130.86 161.53 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.133 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' THR . 11.5 ttp180 -35.29 -47.18 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -59.43 -60.84 3.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -41.08 -52.64 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.659 ' HB2' ' HD2' ' A' ' 44' ' ' ARG . . . -47.23 -63.53 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -57.3 -56.34 23.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' LEU . 83.4 t60 -47.26 -67.4 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' HIS . 52.5 mt -34.62 -43.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.98 -49.34 65.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 30' ' ' HIS . 20.0 mmm-85 -42.02 -54.41 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -48.2 -42.9 31.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 17.5 mm-40 -65.95 -49.19 68.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 p 45.44 54.44 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.587 ' HE3' ' CE2' ' A' ' 112' ' ' TYR . 6.9 ptmt -157.13 108.8 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 37' ' ' LYS . 10.3 tt0 -34.39 117.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.69 -37.84 1.74 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.43 117.21 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 111.083 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.649 ' O ' HG23 ' A' ' 42' ' ' ILE . 3.0 p90 -135.32 160.89 37.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 41' ' ' PHE . 15.9 pt -162.11 153.88 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.432 HG22 HG12 ' A' ' 54' ' ' ILE . 96.0 t -116.66 105.19 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.763 ' HB3' HD11 ' A' ' 23' ' ' ILE . 8.3 ptm180 -108.31 164.74 12.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -95.89 134.78 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 48' ' ' HIS . 1.9 t -66.48 95.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.789 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.5 ttm180 -37.86 -26.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.591 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -72.58 -61.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.591 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 56.7 tp -123.63 166.91 14.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' HG ' ' A' ' 49' ' ' LEU . . . -74.16 43.77 1.28 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.467 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 t -101.44 -177.19 3.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.943 0.401 . . . . 0.0 110.821 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.544 ' CB ' HD12 ' A' ' 73' ' ' ILE . 61.6 m-85 -128.83 153.22 47.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 71' ' ' TYR . 36.4 m -150.79 130.13 12.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.432 HG12 HG22 ' A' ' 43' ' ' VAL . 23.0 mt -92.81 121.99 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 m -105.72 102.5 11.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.504 HG22 ' CB ' ' A' ' 41' ' ' PHE . 25.0 t -103.15 152.4 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.404 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 45.0 t80 -97.75 110.23 22.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.471 ' HG3' ' CE ' ' A' ' 69' ' ' LYS . 4.6 mmt -76.46 -56.94 4.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.716 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.438 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.836 0.351 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.716 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -151.4 126.91 10.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.8 mt -137.08 132.18 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.551 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 11.1 mptt -104.09 158.22 16.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -126.79 106.74 9.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 4.8 m-85 -103.44 108.02 19.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -81.2 123.17 28.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.544 HD12 ' CB ' ' A' ' 52' ' ' TYR . 34.6 mt -78.04 105.91 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -100.17 175.21 5.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.572 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 1.3 ttmp? -124.43 139.26 54.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -92.5 -177.45 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.867 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -55.63 -32.13 62.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.403 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 2.2 m -81.1 16.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.475 ' HA2' ' CD ' ' A' ' 75' ' ' LYS . . . 48.27 39.19 20.43 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.546 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.505 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 28.8 mt-30 -111.99 145.03 40.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.572 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 72.3 m95 -82.57 131.44 35.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.442 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 21.2 p90 -145.53 159.67 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.74 HG23 HD11 ' A' ' 95' ' ' LEU . 85.4 t -127.96 -51.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.224 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.82 5.2 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 2.3 mt-10 56.56 24.98 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -134.06 -32.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -117.92 123.75 46.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -117.15 141.97 47.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 14.2 m-85 -119.09 -177.96 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -103.79 -23.78 13.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.5 m -132.59 148.95 52.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.707 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 13.1 mm -58.79 -48.44 96.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.592 0.711 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.707 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.8 Cg_endo -69.7 0.45 5.58 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.736 2.291 . . . . 0.0 112.393 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -98.61 -37.93 9.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.74 HD11 HG23 ' A' ' 83' ' ' VAL . 1.6 tt -59.76 -37.43 78.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.682 HG23 HD12 ' A' ' 110' ' ' LEU . 12.2 mm -87.65 -15.62 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -56.94 -46.59 81.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -86.2 -49.82 7.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -41.49 -42.58 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -52.66 -39.83 62.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -85.21 -38.2 19.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.859 0.361 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.682 HD12 HG23 ' A' ' 96' ' ' ILE . 14.1 mt -63.03 116.75 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.461 ' HG3' ' CD1' ' A' ' 112' ' ' TYR . 4.3 ptp180 -122.32 -37.47 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.587 ' CE2' ' HE3' ' A' ' 37' ' ' LYS . 11.7 m-85 -107.79 83.82 1.8 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.766 0.793 . . . . 0.0 110.963 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 79.66 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.642 2.228 . . . . 0.0 112.381 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.457 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 94.8 t -38.05 118.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.18 164.3 54.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.573 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.6 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.5 t30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.784 0.326 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.589 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 22.0 mt -102.98 -31.24 10.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -44.63 -45.28 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.524 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 43.4 pt -41.36 -34.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.601 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 19.9 m-85 -81.1 170.46 16.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -106.19 -37.38 6.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.43 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 14.3 p-90 -63.56 -17.01 62.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.589 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 10.1 t80 -84.6 75.97 10.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -66.44 93.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 42.6 ptt85 -92.0 152.77 19.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.9 t30 74.15 41.5 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.2 pt -134.47 177.9 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' ARG . 10.1 t -136.42 163.89 29.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' THR . 56.6 ttp180 -34.28 -55.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -49.55 -55.29 13.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -54.24 -58.72 6.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.2 -58.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.636 ' HA ' HD12 ' A' ' 32' ' ' LEU . 24.1 mt-10 -60.73 -57.13 14.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -41.31 -66.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.3 mt -37.87 -42.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.638 HD11 ' HB3' ' A' ' 55' ' ' SER . 9.5 mt -71.33 -50.71 29.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -50.88 -39.93 55.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -60.0 -47.46 85.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.46 -51.82 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 m 61.81 42.39 10.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.533 ' HE2' ' CG ' ' A' ' 112' ' ' TYR . 5.2 pttm -139.31 110.04 6.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 37' ' ' LYS . 52.5 tt0 -37.5 145.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 40' ' ' ALA . . . 104.0 -50.16 0.89 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . -33.01 116.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 111.08 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 42' ' ' ILE . 8.2 p90 -133.3 161.12 35.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 41' ' ' PHE . 24.9 pt -160.41 153.25 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -116.19 109.55 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.502 HH12 ' CE1' ' A' ' 70' ' ' HIS . 17.4 ptt180 -95.79 166.58 11.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.805 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -100.91 117.09 34.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.797 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.3 m -56.48 129.7 41.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 48' ' ' HIS . 6.7 ppt_? -78.52 -39.57 37.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.4 p80 -57.76 -38.48 75.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.577 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 4.1 tp -156.76 177.09 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.58 44.51 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.543 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 m -96.21 -178.96 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.845 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -138.42 153.39 48.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.922 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.2 m -146.3 132.72 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.8 mt -95.78 126.85 48.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.638 ' HB3' HD11 ' A' ' 32' ' ' LEU . 4.7 m -111.2 97.18 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.577 HG22 ' CB ' ' A' ' 41' ' ' PHE . 37.5 t -97.33 152.87 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.411 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 56.2 t80 -100.46 116.73 33.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.3 mmt -88.04 -59.52 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.463 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.848 0.356 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -156.19 136.21 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.5 mt -137.74 132.5 44.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 2.7 mptm? -102.19 160.15 14.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.502 ' CE1' HH12 ' A' ' 44' ' ' ARG . 95.9 m-70 -132.49 105.78 7.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 4.5 m-85 -104.21 103.95 13.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -78.09 112.29 14.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.497 HG12 HG22 ' A' ' 83' ' ' VAL . 33.1 mt -74.34 107.27 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -96.45 175.58 6.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -128.21 145.75 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.475 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -100.73 -175.66 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -31.9 66.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.414 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 3.0 m -81.3 19.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 46.19 41.06 10.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.481 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 30.8 mt-30 -113.37 135.55 53.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -81.91 131.63 35.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 20.3 p90 -144.18 149.92 37.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.72 HG23 HD11 ' A' ' 95' ' ' LEU . 98.2 t -112.84 -52.29 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.211 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.15 17.95 2.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 14.5 tt0 43.39 27.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -130.89 -30.85 1.77 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -121.27 108.68 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -99.24 135.7 40.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 80.8 m-85 -111.79 -174.97 2.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.795 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -105.69 -28.11 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 m -136.04 152.49 50.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.71 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.6 mm -58.71 -48.25 97.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.66 0.743 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.71 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.1 Cg_endo -69.73 -2.84 10.85 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.268 . . . . 0.0 112.344 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -94.64 -40.46 9.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.72 HD11 HG23 ' A' ' 83' ' ' VAL . 2.9 tt -58.09 -37.55 74.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.566 HD13 HD23 ' A' ' 95' ' ' LEU . 11.6 mm -85.5 -19.71 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.416 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.5 t-105 -53.62 -48.05 69.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -83.4 -49.23 9.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -37.86 -36.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -57.3 -62.12 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -65.36 -49.65 68.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 110' ' ' LEU . 16.3 ttp180 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.551 HD13 ' CZ ' ' A' ' 41' ' ' PHE . 24.8 mt -33.48 116.89 0.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.409 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 0.1 OUTLIER -107.21 -56.58 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.533 ' CG ' ' HE2' ' A' ' 37' ' ' LYS . 11.8 m-85 -103.15 95.47 6.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.651 0.739 . . . . 0.0 110.915 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 112' ' ' TYR . 54.0 Cg_endo -69.71 79.58 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.61 2.207 . . . . 0.0 112.384 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.424 HG21 ' HB1' ' A' ' 40' ' ' ALA . 96.3 t -49.01 113.95 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -106.57 169.47 15.36 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 115' ' ' GLY . 11.0 mp . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.609 ' N ' HD21 ' A' ' 12' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 21.3 mt -108.84 -29.81 8.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -49.33 -37.62 25.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 16' ' ' TYR . 12.2 pt -53.41 -29.75 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.486 ' N ' HG13 ' A' ' 15' ' ' ILE . 61.5 m-85 -83.79 -179.95 7.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -113.22 -36.23 5.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 11.5 p-90 -67.89 -2.98 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 19.8 t80 -97.87 84.05 3.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -78.49 97.89 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.801 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 12.3 ptm180 -104.84 160.05 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.8 t30 64.97 43.27 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.414 HD11 ' HB3' ' A' ' 44' ' ' ARG . 14.9 pt -126.48 178.42 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -128.22 159.55 34.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -38.77 -42.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -60.87 -46.1 91.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -59.09 -55.1 39.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.14 -61.54 1.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -63.05 -58.39 7.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -39.41 -58.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.2 mt -44.32 -54.32 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.39 -50.26 74.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -41.85 -44.71 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -59.23 -46.14 89.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -40.91 91.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.402 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 71.3 m 45.01 44.31 8.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.816 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.588 ' HE3' ' CE2' ' A' ' 112' ' ' TYR . 1.9 ptmt -150.47 146.16 26.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -65.21 139.39 58.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.53 -44.67 1.43 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.22 119.6 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.492 ' O ' HG23 ' A' ' 42' ' ' ILE . 4.4 p90 -144.9 159.64 42.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 41' ' ' PHE . 12.0 pt -157.41 165.02 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.48 HG22 HG12 ' A' ' 54' ' ' ILE . 87.8 t -123.18 113.52 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.414 ' HB3' HD11 ' A' ' 23' ' ' ILE . 31.5 ptt180 -108.98 159.55 16.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.98 138.95 30.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' LEU . 74.5 m -74.44 134.75 42.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -79.18 -42.77 25.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.3 p80 -55.78 -36.69 67.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.517 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 7.2 tp -158.45 176.89 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.42 47.05 1.68 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.471 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 t -99.79 -177.75 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.965 0.412 . . . . 0.0 110.802 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CB ' HD12 ' A' ' 73' ' ' ILE . 93.1 m-85 -133.49 147.1 51.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.1 m -142.52 128.11 19.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.48 HG12 HG22 ' A' ' 43' ' ' VAL . 18.3 mt -93.26 146.98 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.6 m -129.35 106.89 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.799 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.496 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 18.4 t -103.99 157.36 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.719 ' HE1' ' HB1' ' A' ' 66' ' ' ALA . 72.1 t80 -103.15 107.57 18.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.4 mmt -74.61 -56.39 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.488 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.719 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.792 0.33 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.488 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -122.23 130.21 52.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.5 mt -133.93 129.79 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -101.46 169.6 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -141.04 105.46 4.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.477 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 10.7 m-85 -98.86 117.55 33.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -87.42 111.74 21.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.484 HD12 ' CB ' ' A' ' 52' ' ' TYR . 55.1 mt -68.73 105.81 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -97.87 174.14 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.528 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 14.7 ttmt -128.29 131.52 48.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 76' ' ' ASN . 40.5 p30 -77.75 179.19 6.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.48 -33.49 69.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -72.82 -11.96 60.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.17 35.28 21.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -107.63 139.81 41.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.528 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 79.8 m95 -79.87 123.16 27.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 p90 -144.34 148.46 34.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.954 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.596 HG23 HD11 ' A' ' 95' ' ' LEU . 84.2 t -118.25 -51.48 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 86' ' ' ARG . . . -83.17 23.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 84' ' ' ALA . 1.1 pp20? 33.11 32.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 84' ' ' ALA . 17.7 mmt180 -134.06 -26.62 1.49 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -131.5 108.36 9.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -98.53 140.56 32.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.533 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 32.6 m-85 -121.37 -178.85 3.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -106.47 -24.82 12.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.1 m -130.6 149.24 52.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.713 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.6 mm -59.34 -48.04 96.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 111.192 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.713 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.76 1.48 4.4 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.692 2.262 . . . . 0.0 112.398 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 7.0 mm-40 -99.61 -40.22 7.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -57.66 -34.94 69.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.4 mm -86.86 -19.87 7.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.412 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.8 t-105 -53.93 -41.1 67.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -90.37 -44.57 9.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -43.32 -36.69 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -66.08 -51.65 56.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -63.3 -40.56 97.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.0 ttp85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 12.6 mt -50.35 101.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -116.43 -30.01 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.588 ' CE2' ' HE3' ' A' ' 37' ' ' LYS . 23.3 m-85 -111.76 82.9 4.2 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.701 0.762 . . . . 0.0 110.855 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 79.68 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.613 2.209 . . . . 0.0 112.409 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.413 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 41.2 t -42.53 105.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.88 163.67 50.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.531 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.6 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.738 0.304 . . . . 0.0 110.92 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 86.7 mt -115.6 -35.78 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.491 ' OE2' ' CZ ' ' A' ' 21' ' ' ARG . 4.0 mt-10 -49.66 -39.96 38.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 16' ' ' TYR . 31.9 pt -49.57 -32.81 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.473 ' N ' HG13 ' A' ' 15' ' ' ILE . 43.8 m-85 -79.77 179.39 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -113.55 -38.89 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.7 p-90 -65.01 -5.53 6.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 27.4 t80 -97.17 82.5 3.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 19.4 m-70 -79.75 87.1 5.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 11.4 ptt180 -89.42 165.45 14.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.8 t30 62.46 40.92 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.793 HD11 ' HE ' ' A' ' 44' ' ' ARG . 15.2 pt -128.86 174.62 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.137 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.1 p -119.2 179.0 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -37.36 76.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -68.55 -41.43 79.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -57.78 -54.72 43.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.34 -64.52 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -54.74 -56.16 22.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -42.65 -64.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.1 mt -39.98 -46.15 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD21 HG12 ' A' ' 42' ' ' ILE . 51.0 mt -64.73 -56.98 10.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' LEU . 52.4 mmm-85 -36.9 -49.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.821 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -52.16 -43.84 64.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LEU . 3.2 mm-40 -68.98 -51.89 34.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 89.2 p 52.29 54.79 10.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HG2' ' HB3' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -157.62 125.37 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -41.12 144.42 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 41' ' ' PHE . . . 108.61 -46.96 1.09 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.48 96.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.633 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -123.71 132.02 53.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.708 ' O ' HG23 ' A' ' 54' ' ' ILE . 1.1 pt -127.83 165.12 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.944 HG22 HG12 ' A' ' 54' ' ' ILE . 22.8 t -140.55 133.19 32.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.053 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.793 ' HE ' HD11 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -138.52 174.93 10.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.19 138.2 31.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' HIS . 2.0 m -88.11 74.47 8.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 5.9 mmm180 -35.05 -31.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -56.19 -53.94 51.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.577 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.2 tp -137.25 173.61 11.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.59 46.22 1.64 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.469 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.7 m -125.65 -176.96 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.811 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -132.48 167.07 20.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.4 m -147.26 139.52 24.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.944 HG12 HG22 ' A' ' 43' ' ' VAL . 32.2 mt -117.45 133.86 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -110.13 112.8 25.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.557 HG22 ' CB ' ' A' ' 41' ' ' PHE . 17.2 t -111.42 132.25 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 53.8 t80 -80.43 112.23 17.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.9 mmt -82.67 -46.16 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.413 ' N ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.854 0.359 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.413 ' HB3' ' N ' ' A' ' 59' ' ' GLY . . . -116.43 122.84 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 30.8 mt -133.08 125.77 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -102.27 155.93 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -125.02 105.93 9.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -93.92 115.37 27.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -89.46 124.25 34.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 54' ' ' ILE . 31.2 mt -86.69 104.92 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -95.99 174.15 7.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.479 ' CD ' ' HA2' ' A' ' 79' ' ' GLY . 1.1 ttmp? -124.36 138.6 54.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.556 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -91.27 -176.89 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -55.83 -33.4 64.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.13 12.25 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.479 ' HA2' ' CD ' ' A' ' 75' ' ' LYS . . . 53.54 36.61 54.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.556 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 47.6 mt-30 -108.61 142.42 39.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.42 ' CZ2' ' HE3' ' A' ' 75' ' ' LYS . 76.3 m95 -79.93 138.62 37.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 4.6 p90 -154.45 145.01 22.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.515 HG23 HD11 ' A' ' 95' ' ' LEU . 67.6 t -110.92 -48.01 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.5 4.41 24.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.519 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 15.6 tt0 55.66 25.07 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -131.17 -32.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -122.14 108.49 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -98.75 145.64 26.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 41.6 m-85 -121.05 -174.89 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -107.39 -23.36 12.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 m -135.78 149.69 49.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.707 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 13.7 mm -58.45 -48.56 96.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.682 0.753 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.707 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.2 Cg_endo -69.7 -3.34 11.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.727 2.285 . . . . 0.0 112.383 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 13.8 mm-40 -94.0 -39.57 10.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.515 HD11 HG23 ' A' ' 83' ' ' VAL . 1.5 tt -58.79 -35.39 72.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.526 HG22 ' HG2' ' A' ' 100' ' ' GLN . 7.6 mm -88.2 -14.93 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.409 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.9 t-105 -58.99 -43.59 91.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -91.88 -53.63 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -45.37 -26.68 0.57 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.526 ' HG2' HG22 ' A' ' 96' ' ' ILE . 5.4 mm-40 -52.73 -37.92 59.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -107.99 -47.78 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.3 m120 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.85 0.357 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 65.4 mt -54.99 102.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -132.88 178.06 7.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.43 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 5.9 m-85 45.36 55.03 14.23 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.734 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 54.6 Cg_endo -69.72 90.05 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.698 2.266 . . . . 0.0 112.312 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 113' ' ' PRO . 79.1 t -35.31 130.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.0 165.65 49.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.525 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.436 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.5 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 p30 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.944 0.402 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.594 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 70.4 mt -127.31 -30.25 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -47.7 -41.55 22.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 16' ' ' TYR . 19.5 pt -48.02 -30.36 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 56.2 m-85 -80.76 173.93 12.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -109.36 -31.01 7.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.0 p-90 -75.68 4.02 8.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 22.1 t80 -107.45 78.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 43' ' ' VAL . 49.8 m-70 -76.78 91.62 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 11.7 ptt180 -95.32 156.54 16.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.829 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.55 43.77 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.567 HD11 ' HE ' ' A' ' 44' ' ' ARG . 5.1 pt -134.31 -179.48 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -136.21 168.4 19.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -38.82 -57.61 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.816 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -48.6 -48.84 38.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -62.11 -54.53 39.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.09 -64.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HG2' HD13 ' A' ' 68' ' ' ILE . 12.2 mt-10 -55.34 -51.27 67.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' LEU . 4.1 t-80 -48.64 -66.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.832 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 30' ' ' HIS . 61.8 mt -36.62 -40.66 0.27 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.419 HD22 ' O ' ' A' ' 40' ' ' ALA . 62.2 mt -72.65 -52.39 15.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -41.71 -41.15 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.54 -43.55 79.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.666 ' OE1' ' HB2' ' A' ' 40' ' ' ALA . 9.7 mt-10 -68.64 -48.94 62.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.573 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 18.2 p 49.69 54.85 10.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.542 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 9.5 ptpt -161.06 118.56 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' LYS . 20.2 tt0 -33.34 136.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 111' ' ' ARG . . . 112.37 -42.41 1.96 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.666 ' HB2' ' OE1' ' A' ' 35' ' ' GLU . . . -44.36 99.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.074 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.841 ' CG ' HD22 ' A' ' 110' ' ' LEU . 2.1 p90 -126.41 163.87 22.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.591 ' O ' HG23 ' A' ' 54' ' ' ILE . 22.0 pt -158.48 167.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.015 HG22 HG12 ' A' ' 54' ' ' ILE . 58.4 t -135.51 138.51 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.567 ' HE ' HD11 ' A' ' 23' ' ' ILE . 1.5 ptp85 -144.02 174.91 10.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.55 134.69 38.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.8 m -64.88 151.2 46.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -95.89 -40.8 9.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.528 ' NE2' HD12 ' A' ' 49' ' ' LEU . 4.3 p-80 -57.22 -42.41 81.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.528 HD12 ' NE2' ' A' ' 48' ' ' HIS . 37.2 mt -150.34 -175.11 4.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.61 40.53 2.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.539 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.8 t -99.27 -177.28 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.582 ' HB3' HD12 ' A' ' 73' ' ' ILE . 83.9 m-85 -131.11 158.18 41.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.98 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.543 HG22 HH12 ' A' ' 44' ' ' ARG . 94.5 m -146.57 139.96 25.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.178 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 1.015 HG12 HG22 ' A' ' 43' ' ' VAL . 51.4 mt -118.5 128.9 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.189 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.472 ' N ' HH22 ' A' ' 44' ' ' ARG . 38.8 m -107.23 114.4 28.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.512 HG22 ' HB2' ' A' ' 41' ' ' PHE . 20.0 t -108.22 136.67 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 36' ' ' SER . 39.0 t80 -87.6 116.38 25.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.59 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 2.7 mmt -72.81 -59.01 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.467 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.797 0.332 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.59 ' HB3' ' HB2' ' A' ' 58' ' ' MET . . . -104.34 135.35 45.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.404 HD13 ' HG2' ' A' ' 29' ' ' GLU . 29.4 mt -137.51 126.63 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.24 163.73 12.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -133.93 104.63 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -97.7 114.69 26.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -83.76 134.32 34.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.582 HD12 ' HB3' ' A' ' 52' ' ' TYR . 21.3 mt -95.17 113.26 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -106.29 170.03 8.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.529 ' HE2' ' CZ2' ' A' ' 81' ' ' TRP . 23.6 ttmt -115.8 138.64 50.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 76' ' ' ASN . 18.1 p-10 -84.33 -177.27 6.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -62.48 -35.13 78.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.794 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -84.74 18.44 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.7 53.61 42.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.633 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 47.4 mt-30 -122.12 134.97 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.955 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.529 ' CZ2' ' HE2' ' A' ' 75' ' ' LYS . 80.7 m95 -79.82 132.07 36.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 13.4 p90 -151.51 149.15 28.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.557 HG23 HD11 ' A' ' 95' ' ' LEU . 64.8 t -116.2 -50.57 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.076 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.8 -1.2 26.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.2 mt-10 59.21 24.96 13.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -130.76 -31.73 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -122.79 103.08 8.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.633 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -91.52 143.45 26.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 62.0 m-85 -119.74 -176.27 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -109.0 -23.09 11.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -136.62 150.87 48.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.8 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.702 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.8 mm -58.85 -48.72 96.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.679 0.752 . . . . 0.0 111.182 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.702 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.9 Cg_endo -69.78 1.21 4.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.258 . . . . 0.0 112.347 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -100.11 -37.5 8.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.557 HD11 HG23 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -60.49 -36.58 78.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.487 HG23 ' CD1' ' A' ' 110' ' ' LEU . 12.2 mm -88.15 -13.68 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -59.08 -41.1 87.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -90.89 -51.01 5.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -37.74 -47.29 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.41 ' HG3' HG22 ' A' ' 96' ' ' ILE . 52.9 mt-30 -49.57 -50.07 43.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -67.44 -49.22 64.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.856 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.887 0.375 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.841 HD22 ' CG ' ' A' ' 41' ' ' PHE . 28.2 mt -53.82 114.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.473 ' CG ' ' HA3' ' A' ' 39' ' ' GLY . 9.4 ptp180 -120.05 -42.49 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.542 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 3.5 m-85 -107.77 83.53 1.69 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.66 0.743 . . . . 0.0 110.927 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 80.51 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.278 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.576 HG22 ' CD ' ' A' ' 35' ' ' GLU . 72.7 t -45.73 107.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.52 171.59 30.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.917 0.389 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.498 HD21 ' HD3' ' A' ' 93' ' ' PRO . 92.5 mt -125.29 -34.11 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.962 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -45.21 -39.84 6.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.471 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 35.9 pt -46.35 -35.49 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 19.6 m-85 -79.64 175.0 11.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -107.84 -44.27 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.45 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 18.4 p-90 -56.34 -20.34 18.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 9.5 t80 -81.62 76.42 8.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.464 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 8.1 m-70 -73.23 108.17 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -107.35 154.06 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.5 t30 75.0 44.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.0 pt -137.34 178.48 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' ARG . 14.8 t -137.14 166.82 22.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' THR . 14.7 ttt-85 -35.89 -57.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -48.62 -52.74 21.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.417 ' HG2' HG22 ' A' ' 24' ' ' THR . 17.7 mm100 -56.61 -56.13 25.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.97 -64.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.92 -43.98 73.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 31' ' ' LEU . 7.6 t60 -54.6 -66.06 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' HIS . 98.4 mt -35.9 -44.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.7 -53.87 19.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.8 mmm-85 -40.33 -45.68 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -56.24 -45.86 79.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.78 -44.26 77.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.585 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 24.6 p 49.24 42.59 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.624 ' CE ' ' CE2' ' A' ' 112' ' ' TYR . 0.3 OUTLIER -134.9 124.79 25.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -50.37 134.5 23.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.02 -44.4 1.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.29 121.51 1.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 14.2 p90 -140.69 155.92 46.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.0 pt -146.97 163.13 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.93 HG22 HG12 ' A' ' 54' ' ' ILE . 89.8 t -134.16 120.86 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.093 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.611 HH12 HG22 ' A' ' 53' ' ' THR . 1.9 ptp85 -120.37 174.91 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -98.03 128.18 44.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.7 m -84.43 72.31 10.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' SER . 38.0 mmt180 -35.43 -36.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -46.89 -56.35 6.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.646 HD23 ' H ' ' A' ' 50' ' ' GLY . 0.7 OUTLIER -136.5 171.97 13.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.646 ' H ' HD23 ' A' ' 49' ' ' LEU . . . -74.16 48.25 1.73 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.2 m -126.9 -177.27 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -132.41 171.93 13.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.611 HG22 HH12 ' A' ' 44' ' ' ARG . 91.1 m -150.4 144.29 25.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.93 HG12 HG22 ' A' ' 43' ' ' VAL . 28.9 mt -125.31 122.83 63.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.454 ' N ' HH22 ' A' ' 44' ' ' ARG . 44.0 m -102.79 111.84 24.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.9 t -104.45 139.3 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.585 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 41.1 t80 -87.43 112.31 22.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.5 mmt -80.88 -49.45 11.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.414 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.565 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.768 0.318 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.09 126.73 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.1 mt -135.74 127.49 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 2.6 mptm? -101.5 161.3 13.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -126.24 104.72 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 5.0 m-85 -101.86 107.17 18.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -83.79 125.39 31.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.92 HD11 HD11 ' A' ' 54' ' ' ILE . 31.4 mt -86.13 107.23 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.467 ' NZ ' ' CE1' ' A' ' 82' ' ' TYR . 3.1 mtmp? -101.07 -176.09 3.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.982 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -127.61 146.26 50.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -101.74 -174.74 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -56.91 -33.04 66.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.0 16.01 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 49.41 40.55 31.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 69.3 mt-30 -114.79 143.0 45.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.895 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -80.25 138.4 36.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 46.9 p90 -154.79 161.03 41.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 90.3 t -126.39 -48.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.0 -5.68 52.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 mt-10 66.91 25.0 9.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -134.85 -33.45 0.94 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -115.58 111.74 21.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -106.24 141.07 38.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.075 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 50.9 m-85 -115.32 -174.66 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -103.33 -29.05 11.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.428 ' HB2' ' CD ' ' A' ' 94' ' ' GLU . 3.5 m -134.76 153.32 52.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.714 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.5 mm -60.09 -48.04 95.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.714 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.74 -6.33 18.32 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.428 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.1 OUTLIER -92.64 -34.44 13.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.582 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.8 tt -61.95 -40.53 95.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.486 HG22 ' HG3' ' A' ' 100' ' ' GLN . 6.4 mm -84.65 -14.2 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -57.76 -45.0 86.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 99' ' ' HIS . 7.7 m-85 -89.86 -50.51 6.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' TYR . 11.9 m80 -38.17 -44.29 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.486 ' HG3' HG22 ' A' ' 96' ' ' ILE . 67.7 mt-30 -52.0 -49.22 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -67.05 -45.37 77.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.816 0.341 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 11.2 mt -61.86 127.21 30.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.408 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 70.8 mtt180 -124.87 -47.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.624 ' CE2' ' CE ' ' A' ' 37' ' ' LYS . 73.9 m-85 -105.09 91.81 4.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.683 0.754 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.73 79.36 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 0.0 112.351 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 63.8 t -40.92 118.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -90.26 163.28 30.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.464 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.2 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.843 0.354 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 27.0 mt -109.32 -29.82 8.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -48.5 -41.51 30.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 16' ' ' TYR . 16.1 pt -47.94 -27.88 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 55.3 m-85 -85.03 178.23 7.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -113.24 -35.6 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.408 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 11.2 p-90 -70.58 -0.3 8.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 13.8 t80 -100.73 80.27 2.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.474 ' NE2' HG12 ' A' ' 114' ' ' VAL . 45.5 m-70 -74.48 98.29 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 24.6 ptt180 -101.22 154.76 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 72.26 43.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 44' ' ' ARG . 16.6 pt -130.69 176.63 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.546 HG22 ' HG2' ' A' ' 27' ' ' GLN . 13.4 t -131.02 164.13 26.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.0 tpp180 -34.66 -59.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -47.41 -51.13 20.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.546 ' HG2' HG22 ' A' ' 24' ' ' THR . 13.0 mm100 -54.43 -57.31 11.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.57 -60.16 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HA ' HD12 ' A' ' 32' ' ' LEU . 20.5 mt-10 -61.03 -59.69 4.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' ARG . 68.7 t60 -42.96 -64.86 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.789 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' HIS . 19.9 mt -35.95 -40.75 0.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 55' ' ' SER . 6.7 mt -76.29 -43.85 39.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' HIS . 21.3 mmt85 -52.94 -39.73 63.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -55.51 -46.44 76.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -66.13 -51.14 60.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.9 m 61.35 51.2 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.38 148.64 32.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -71.49 117.03 12.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.995 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.88 -38.3 1.92 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.24 112.66 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.339 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.474 ' CB ' HG22 ' A' ' 56' ' ' VAL . 4.3 p90 -132.88 159.3 40.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.472 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 21.4 pt -156.73 161.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.1 t -125.17 108.23 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.677 ' HB3' HD11 ' A' ' 23' ' ' ILE . 20.5 ptt85 -103.65 169.35 8.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -99.2 135.28 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 m -72.94 139.8 47.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -83.81 -46.42 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -52.23 -29.43 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.51 ' HG ' ' N ' ' A' ' 50' ' ' GLY . 54.3 tp -165.16 171.07 14.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.51 ' N ' ' HG ' ' A' ' 49' ' ' LEU . . . -72.48 47.04 1.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -98.72 -177.1 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.948 0.404 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.611 ' HB3' HD12 ' A' ' 73' ' ' ILE . 98.1 m-85 -134.03 156.99 47.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.512 HG23 ' HA ' ' A' ' 72' ' ' GLN . 28.2 m -151.74 134.96 15.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.541 HD11 HD11 ' A' ' 96' ' ' ILE . 24.2 mt -97.25 138.56 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.526 ' HB3' HD11 ' A' ' 32' ' ' LEU . 27.3 m -121.3 101.64 7.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.798 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.474 HG22 ' CB ' ' A' ' 41' ' ' PHE . 29.8 t -101.33 150.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.526 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 65.8 t80 -97.09 108.86 21.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.412 ' CG ' ' HD3' ' A' ' 69' ' ' LYS . 6.1 mmt -78.03 -68.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.752 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.779 0.323 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.752 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -130.9 129.74 42.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.5 mt -131.13 133.12 63.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.412 ' HD3' ' CG ' ' A' ' 58' ' ' MET . 12.4 mptt -101.93 158.12 16.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -130.74 104.77 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.467 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 8.2 m-85 -100.21 98.15 8.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.512 ' HA ' HG23 ' A' ' 53' ' ' THR . 17.6 tt0 -71.78 112.35 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' A' ' 52' ' ' TYR . 21.9 mt -70.29 110.73 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -101.73 172.53 6.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.584 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 24.8 ttmt -126.31 138.12 53.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 79' ' ' GLY . 47.3 p30 -79.7 -177.7 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.53 -33.28 75.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 m -71.23 -17.82 62.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . 93.56 30.82 8.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.474 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 23.6 mt-30 -106.12 142.59 35.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.584 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 71.1 m95 -79.88 133.77 36.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.543 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 3.9 p90 -151.93 158.67 43.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.668 HG23 HD11 ' A' ' 95' ' ' LEU . 62.3 t -121.43 -49.57 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.228 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.82 6.36 15.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.543 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 18.4 tt0 54.06 25.21 5.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -131.9 -32.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -117.93 105.42 11.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.474 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -96.26 146.29 24.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.578 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 91.7 m-85 -118.72 -175.44 2.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -106.76 -24.69 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.43 ' HB2' ' CD ' ' A' ' 94' ' ' GLU . 1.9 m -139.46 152.79 47.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.694 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 5.3 mm -60.33 -49.01 92.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.579 0.704 . . . . 0.0 111.158 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.694 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 52.8 Cg_endo -69.76 -4.79 14.74 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.729 2.286 . . . . 0.0 112.298 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.43 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.1 OUTLIER -94.91 -34.74 12.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.668 HD11 HG23 ' A' ' 83' ' ' VAL . 1.3 tt -60.94 -35.93 78.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.541 HD11 HD11 ' A' ' 54' ' ' ILE . 11.6 mm -86.72 -13.04 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.148 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.414 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.4 t-105 -61.29 -36.91 81.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.747 ' CD2' ' ND2' ' A' ' 102' ' ' ASN . 1.5 t80 -92.05 -47.28 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -41.02 -34.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -53.22 -56.97 12.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -70.52 -55.06 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.747 ' ND2' ' CD2' ' A' ' 98' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.821 0.344 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.06 117.73 4.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.409 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 46.0 mtp180 -114.45 -55.96 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 113' ' ' PRO . 68.4 m-85 -103.92 93.92 5.88 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.661 0.744 . . . . 0.0 110.902 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 114' ' ' VAL . 53.4 Cg_endo -69.82 79.74 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.291 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.474 HG12 ' NE2' ' A' ' 20' ' ' HIS . 97.6 t -33.33 110.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.19 158.17 50.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.549 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.401 HD21 ' O ' ' A' ' 19' ' ' TYR . 12.0 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.899 0.381 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.654 HD21 ' HD3' ' A' ' 93' ' ' PRO . 22.2 mt -120.52 -20.02 7.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -50.27 -44.63 53.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.4 pt -46.49 -36.74 2.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.07 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -74.05 -175.01 2.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.08 -36.19 3.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.6 p-90 -66.93 -3.7 7.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.583 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 20.6 t80 -94.84 77.11 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.48 ' HB3' HD13 ' A' ' 23' ' ' ILE . 15.3 m-70 -75.11 93.15 2.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -96.9 167.15 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.9 t30 65.26 37.59 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.604 HD11 HH11 ' A' ' 44' ' ' ARG . 8.7 pt -131.2 175.22 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.208 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.9 p -117.34 176.18 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tpp85 -58.82 -31.47 68.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -75.38 -40.91 57.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -57.46 -52.49 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.06 -61.84 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.11 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -53.2 -59.63 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -38.41 -52.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.1 mt -52.97 -52.66 57.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.497 HD21 HG12 ' A' ' 42' ' ' ILE . 26.2 mt -57.19 -46.17 83.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -46.87 -50.0 19.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -48.64 -41.85 32.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.36 -64.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 5.8 m 69.85 44.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.595 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 12.0 ptpt -151.83 126.16 9.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER -44.88 138.2 3.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.479 ' N ' ' OE1' ' A' ' 38' ' ' GLU . . . 113.87 -46.08 1.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.436 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.34 120.19 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 111.077 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.738 ' CG ' HD22 ' A' ' 110' ' ' LEU . 9.1 p90 -141.01 169.01 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.682 HD12 HH12 ' A' ' 44' ' ' ARG . 1.0 OUTLIER -164.81 167.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.12 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.576 HG22 HG12 ' A' ' 54' ' ' ILE . 57.4 t -134.77 138.0 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.682 HH12 HD12 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -134.01 174.56 10.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.06 132.86 42.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' HIS . 6.7 m -92.19 72.9 5.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' SER . 14.1 ttt180 -37.55 -27.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -56.73 -61.13 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.4 OUTLIER -132.81 45.74 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . 37.75 31.46 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' LEU . 20.6 m -92.29 -177.43 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.866 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.613 ' HB2' HD12 ' A' ' 73' ' ' ILE . 71.7 m-85 -130.94 131.78 44.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.016 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.5 m -118.49 140.69 49.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.576 HG12 HG22 ' A' ' 43' ' ' VAL . 68.9 mt -116.92 120.1 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.459 ' CB ' ' NH2' ' A' ' 44' ' ' ARG . 73.8 m -104.13 105.26 15.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.9 t -98.65 147.42 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 56.6 t80 -92.68 111.91 23.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.2 mmt -83.37 -49.46 9.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.572 ' N ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.437 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.787 0.327 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.572 ' HB3' ' N ' ' A' ' 59' ' ' GLY . . . -139.26 124.08 18.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.2 mt -133.34 127.77 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.457 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 13.1 mptt -103.33 157.34 17.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -122.7 112.31 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.457 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 7.3 m-85 -107.93 108.04 19.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -79.31 130.96 35.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 52' ' ' TYR . 85.1 mt -85.44 111.93 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -102.05 175.94 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.835 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.511 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 24.3 ttmt -127.39 140.98 51.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.476 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -95.34 -179.99 4.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -52.98 -31.62 41.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.417 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 1.9 m -81.33 17.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 47.8 37.75 15.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.522 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 27.5 mt-30 -110.2 143.45 40.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.724 0.297 . . . . 0.0 110.883 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.511 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 74.8 m95 -80.03 144.68 33.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.525 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 5.3 p90 -158.79 143.4 15.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.537 HG23 HD11 ' A' ' 95' ' ' LEU . 66.2 t -107.62 -45.61 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.162 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.54 7.75 21.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.525 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 16.7 tt0 51.94 26.0 3.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -132.37 -32.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -120.09 110.17 16.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -99.92 145.1 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 35.6 m-85 -119.58 -176.0 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -104.09 -21.78 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 m -139.23 150.3 45.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.691 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.0 mm -57.85 -49.38 94.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.69 0.757 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.691 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.8 Cg_endo -69.77 -6.44 18.62 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.268 . . . . 0.0 112.335 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -90.91 -34.22 15.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.625 HD23 HD13 ' A' ' 96' ' ' ILE . 1.2 tt -62.79 -39.29 93.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.625 HD13 HD23 ' A' ' 95' ' ' LEU . 4.7 mm -84.8 -15.45 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.4 t-105 -55.98 -38.29 70.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' HIS . 50.6 t80 -92.4 -52.3 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' TYR . 18.9 m-70 -36.5 -44.41 0.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -50.69 -49.4 57.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -72.62 -47.98 43.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.8 m120 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.738 HD22 ' CG ' ' A' ' 41' ' ' PHE . 39.4 mt -67.69 117.22 9.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 65.9 mtp85 -108.68 -53.54 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.595 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 41.5 m-85 -106.88 91.83 6.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.702 0.763 . . . . 0.0 110.951 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 79.93 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.39 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.41 117.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -103.45 171.11 20.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 115' ' ' GLY . 10.7 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.831 HD21 ' HD3' ' A' ' 93' ' ' PRO . 95.9 mt -111.42 -38.21 5.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -45.37 -39.9 7.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.604 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 44.0 pt -45.33 -37.95 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.604 ' CZ ' HD11 ' A' ' 15' ' ' ILE . 28.1 m-85 -81.55 169.9 16.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -103.02 -41.48 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 19.4 p-90 -57.03 -12.76 2.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 9.0 t80 -90.03 84.09 6.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.612 ' CE1' HD13 ' A' ' 31' ' ' LEU . 13.3 m-70 -82.67 106.81 14.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HD2' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -109.84 150.11 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.8 t30 72.16 42.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.464 HD13 ' HB3' ' A' ' 20' ' ' HIS . 13.2 pt -129.57 -176.74 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.3 t -137.02 157.12 47.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 24' ' ' THR . 24.9 ttp180 -34.22 -47.04 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -56.54 -51.2 69.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' THR . 27.7 mm100 -59.05 -50.23 74.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.15 -58.68 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.57 -56.08 26.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -48.42 -52.2 23.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.612 HD13 ' CE1' ' A' ' 20' ' ' HIS . 19.3 mt -48.87 -56.33 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.549 HD11 ' O ' ' A' ' 55' ' ' SER . 39.5 mt -51.71 -46.19 63.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -54.13 -23.4 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 16.1 mm-40 -63.77 -36.74 84.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 35' ' ' GLU . 15.1 mp0 -84.19 -31.7 24.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.5 p 41.76 54.63 3.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.578 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 7.2 ptpt -155.95 144.74 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -64.07 118.84 9.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.467 ' HA3' ' CG ' ' A' ' 111' ' ' ARG . . . 134.24 -29.16 3.08 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.427 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.539 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -57.02 122.97 13.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.715 ' CB ' HD22 ' A' ' 110' ' ' LEU . 8.8 p90 -137.64 160.49 39.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 41' ' ' PHE . 10.2 pt -156.97 156.92 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.3 t -124.94 121.43 61.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -113.44 160.05 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -92.94 142.35 27.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.7 m -83.75 138.25 33.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -81.05 -45.32 16.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.593 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.2 p80 -51.88 -36.73 49.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.593 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.6 tp -157.8 178.05 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.7 46.39 1.7 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 m -98.87 -177.53 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.738 ' HB2' HD12 ' A' ' 73' ' ' ILE . 65.9 m-85 -143.11 149.12 37.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.1 m -130.47 130.68 44.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.6 mt -94.72 140.13 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.549 ' O ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -127.08 105.76 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 25.1 t -103.88 154.04 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.613 ' CE2' ' HB1' ' A' ' 66' ' ' ALA . 52.0 t80 -100.75 108.88 20.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mmt -80.61 -52.11 7.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.527 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.613 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.457 -0.125 0 CA-C-O 120.792 0.33 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.527 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -146.37 131.68 18.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.7 mt -135.44 130.64 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.98 169.7 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -142.26 107.56 5.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.481 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 10.8 m-85 -100.42 120.8 40.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -83.52 139.45 32.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.738 HD12 ' HB2' ' A' ' 52' ' ' TYR . 83.3 mt -104.3 100.35 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' NZ ' ' OE2' ' A' ' 85' ' ' GLU . 32.1 mtmt -98.12 171.13 8.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.459 ' HE2' ' CZ2' ' A' ' 81' ' ' TRP . 14.7 ttmt -123.57 137.8 54.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.469 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -91.8 -177.69 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -55.66 -31.94 62.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.402 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 1.9 m -80.48 15.81 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 49.31 40.65 30.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.579 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 79.2 mt-30 -113.44 142.38 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.459 ' CZ2' ' HE2' ' A' ' 75' ' ' LYS . 69.1 m95 -80.81 138.74 36.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 17.9 p90 -152.72 150.06 29.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.613 HG23 HD11 ' A' ' 95' ' ' LEU . 71.9 t -116.69 -51.26 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.7 -3.24 37.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.5 mt-10 65.18 25.09 12.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -133.23 -32.7 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -117.4 117.26 29.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -108.11 137.37 46.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CZ ' ' CD1' ' A' ' 98' ' ' TYR . 42.9 m-85 -112.65 -175.34 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.8 -16.7 13.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -139.04 145.97 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.716 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 18.5 mm -59.83 -47.04 98.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.676 0.75 . . . . 0.0 111.182 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.831 ' HD3' HD21 ' A' ' 13' ' ' LEU . 54.1 Cg_endo -69.82 -0.89 7.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.612 2.208 . . . . 0.0 112.375 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 0.1 OUTLIER -96.4 -47.61 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.613 HD11 HG23 ' A' ' 83' ' ' VAL . 2.5 tt -52.56 -33.06 44.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.653 HG23 ' CD1' ' A' ' 110' ' ' LEU . 19.9 mm -90.75 -21.04 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.408 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.4 t-105 -53.05 -48.79 67.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 99' ' ' HIS . 1.9 p90 -76.85 -45.13 29.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.511 ' N ' ' CG ' ' A' ' 98' ' ' TYR . 4.5 t-80 -41.64 -53.42 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -45.8 -36.15 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -79.71 -50.13 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.943 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.715 HD22 ' CB ' ' A' ' 41' ' ' PHE . 13.5 mt -62.41 104.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 111' ' ' ARG . 3.5 ptm85 -124.08 -28.67 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 10.4 m-85 -112.11 90.64 14.09 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.7 0.762 . . . . 0.0 110.884 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.87 79.77 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.641 2.228 . . . . 0.0 112.36 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.9 t -37.95 126.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.24 142.67 37.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.431 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.4 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 13.2 mt -107.66 -38.72 5.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -45.86 -36.45 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 16' ' ' TYR . 37.3 pt -53.95 -35.64 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.541 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 47.3 m-85 -78.26 -177.79 5.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -116.66 -31.26 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 11.3 p-90 -70.39 -1.36 10.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 12.8 t80 -101.59 88.39 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.567 ' HB3' HD13 ' A' ' 23' ' ' ILE . 17.5 m-70 -85.48 91.08 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -87.57 -35.66 17.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.469 ' N ' ' HG2' ' A' ' 21' ' ' ARG . 47.6 t-20 -89.37 60.85 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.567 HD13 ' HB3' ' A' ' 20' ' ' HIS . 9.3 pt -148.34 175.3 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.478 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.5 t -131.6 156.52 45.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.4 tpp85 -32.17 -50.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -55.48 -48.63 74.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' THR . 12.6 mm100 -56.91 -56.95 15.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -38.62 -46.87 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -74.68 -50.63 16.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' LEU . 75.2 t60 -53.31 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 30' ' ' HIS . 26.6 mt -35.37 -48.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.98 -46.49 74.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -44.62 -42.43 7.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -59.07 -38.48 79.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 2.3 mm-40 -69.84 -50.87 38.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 32.7 m 50.4 54.48 11.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.581 ' HE3' ' CD2' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -160.86 112.46 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.4 OUTLIER -33.74 136.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.483 ' HA3' ' CG ' ' A' ' 111' ' ' ARG . . . 119.09 -46.43 1.13 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.93 119.31 1.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.789 ' CG ' HD22 ' A' ' 110' ' ' LEU . 9.6 p90 -138.92 165.13 27.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 41' ' ' PHE . 12.8 pt -164.0 167.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.0 t -126.52 105.2 13.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.498 ' HB3' HD11 ' A' ' 23' ' ' ILE . 37.0 ptt180 -96.95 159.35 14.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -94.08 121.88 36.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.4 m -71.71 74.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' SER . 11.0 tpp180 -34.65 -36.72 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -48.79 -55.34 11.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.5 tp -133.37 173.98 10.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.58 45.97 1.62 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.551 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.6 m -123.77 -177.14 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.398 . . . . 0.0 110.778 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.48 ' HB2' HD12 ' A' ' 73' ' ' ILE . 36.1 m-85 -131.56 163.58 27.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.933 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.1 m -144.27 135.92 25.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.214 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.3 mt -97.99 139.57 19.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.1 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.5 m -124.39 102.25 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.599 HG22 ' CB ' ' A' ' 41' ' ' PHE . 17.8 t -102.17 154.2 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.574 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 48.7 t80 -102.31 114.38 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.0 mmt -78.28 -40.28 37.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.574 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.792 0.329 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.04 132.41 13.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.5 mt -138.19 130.39 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -101.83 169.21 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.468 ' ND1' ' NH2' ' A' ' 44' ' ' ARG . 94.8 m-70 -139.61 107.96 5.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.789 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.481 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 7.9 m-85 -103.85 114.8 29.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -82.92 128.11 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.48 HD12 ' HB2' ' A' ' 52' ' ' TYR . 59.7 mt -88.74 103.96 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -98.17 176.51 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.583 ' CE ' ' CH2' ' A' ' 81' ' ' TRP . 23.9 ttmt -124.9 139.4 53.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.5 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -93.11 -176.76 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -32.3 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.51 13.66 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 51.91 40.37 49.94 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.5 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 31.6 mt-30 -113.19 142.48 45.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.583 ' CH2' ' CE ' ' A' ' 75' ' ' LYS . 45.6 m95 -80.43 124.36 28.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 p90 -143.73 154.36 43.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.98 0.419 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 99.0 t -123.3 -46.79 2.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.156 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 86' ' ' ARG . . . -87.08 20.0 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 84' ' ' ALA . 3.1 pt-20 34.29 31.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 84' ' ' ALA . 22.3 mmt85 -132.62 -24.97 1.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -136.85 112.22 9.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -104.14 149.61 25.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 23.1 m-85 -125.12 -176.18 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -105.85 -24.04 12.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 m -134.2 147.16 50.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.717 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.7 mm -58.12 -47.64 98.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 111.188 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.717 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.3 Cg_endo -69.77 -0.63 7.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.621 2.214 . . . . 0.0 112.358 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -98.19 -41.21 8.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.1 tt -56.38 -34.63 66.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.568 HG23 ' CD1' ' A' ' 110' ' ' LEU . 9.4 mm -90.24 -15.95 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -58.16 -44.44 87.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 99' ' ' HIS . 6.5 m-85 -89.13 -50.35 6.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 98' ' ' TYR . 21.3 m170 -38.27 -38.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.479 ' O ' ' NE ' ' A' ' 109' ' ' ARG . 27.4 mt-30 -57.9 -51.96 67.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -66.77 -46.27 75.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.911 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.479 ' NE ' ' O ' ' A' ' 100' ' ' GLN . 14.2 ttp180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.789 HD22 ' CG ' ' A' ' 41' ' ' PHE . 24.1 mt -72.58 118.46 15.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.483 ' CG ' ' HA3' ' A' ' 39' ' ' GLY . 3.4 ptp180 -119.31 -40.04 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.581 ' CD2' ' HE3' ' A' ' 37' ' ' LYS . 14.6 m-85 -108.94 88.32 5.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.696 0.76 . . . . 0.0 110.924 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.499 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.74 79.29 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.46 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 85.3 t -37.96 129.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.58 157.81 40.55 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.416 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.5 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 25.9 mt -108.89 -28.47 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -47.96 -38.28 16.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 16' ' ' TYR . 18.8 pt -49.35 -31.16 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.169 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.477 ' N ' HG13 ' A' ' 15' ' ' ILE . 58.0 m-85 -84.76 -178.5 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.62 -32.82 5.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.425 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 11.7 p-90 -71.15 0.73 7.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 11.0 t80 -102.05 81.98 2.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.597 ' HB3' HD13 ' A' ' 23' ' ' ILE . 41.4 m80 -76.51 94.84 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.66 HH21 HD22 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -93.28 164.33 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.3 t30 62.3 39.81 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.597 HD13 ' HB3' ' A' ' 20' ' ' HIS . 15.5 pt -131.15 176.21 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.424 HG22 ' HG2' ' A' ' 27' ' ' GLN . 13.5 t -132.92 167.59 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -39.48 -51.66 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -53.39 -52.55 58.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.424 ' HG2' HG22 ' A' ' 24' ' ' THR . 14.7 mm100 -53.77 -59.68 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.426 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -45.2 -63.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -53.56 -58.13 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -41.42 -60.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.0 mt -41.71 -43.24 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.481 HD11 ' O ' ' A' ' 55' ' ' SER . 59.5 mt -67.21 -51.97 46.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -41.37 -46.43 3.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -57.93 -43.98 86.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.23 -39.53 93.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.427 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 68.2 p 43.71 45.98 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.576 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 8.2 ptpt -152.19 139.17 19.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -61.74 130.98 48.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.04 -41.47 1.78 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -48.33 106.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 111.06 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.917 ' CG ' HD22 ' A' ' 110' ' ' LEU . 2.4 p90 -127.56 165.24 20.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.79 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.59 HG23 ' O ' ' A' ' 41' ' ' PHE . 14.0 pt -160.3 162.71 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.1 t -124.25 104.04 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.588 ' HB3' HD11 ' A' ' 23' ' ' ILE . 19.1 ptt85 -94.62 169.62 10.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.49 107.89 19.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.403 ' OG ' ' C ' ' A' ' 51' ' ' SER . 15.2 m -39.74 139.65 0.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -89.39 -41.18 12.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -57.31 -35.3 69.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.3 mt -157.12 -175.69 5.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.18 42.65 2.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.403 ' C ' ' OG ' ' A' ' 46' ' ' SER . 3.3 m -99.0 175.63 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.438 ' HB2' HD12 ' A' ' 73' ' ' ILE . 89.0 m-85 -132.62 140.89 48.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.4 m -128.51 140.78 51.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.175 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.1 mt -105.33 125.77 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.481 ' O ' HD11 ' A' ' 32' ' ' LEU . 49.3 m -109.98 98.27 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.484 HG22 ' CB ' ' A' ' 41' ' ' PHE . 22.2 t -98.6 149.88 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.674 ' HE1' ' HB1' ' A' ' 66' ' ' ALA . 40.9 t80 -98.63 143.53 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.751 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 5.3 mmt -103.42 -60.02 1.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.415 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.53 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.674 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.779 0.324 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.751 ' HB3' ' HB2' ' A' ' 58' ' ' MET . . . -98.81 113.42 25.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.076 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.8 mt -117.85 133.16 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -101.47 161.1 13.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -136.2 105.21 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.448 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 14.3 m-85 -100.65 112.32 24.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -85.69 126.82 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.438 HD12 ' HB2' ' A' ' 52' ' ' TYR . 46.4 mt -86.32 103.6 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 1.1 mppt? -96.9 169.8 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.4 ' CE ' ' CZ2' ' A' ' 81' ' ' TRP . 7.7 ttmm -118.59 136.08 54.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.434 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -90.56 -175.75 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -59.8 -30.88 69.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.433 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 3.2 m -80.26 19.89 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 46.11 44.71 14.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.434 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 32.6 mt-30 -120.07 142.48 48.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.756 0.313 . . . . 0.0 110.983 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.4 ' CZ2' ' CE ' ' A' ' 75' ' ' LYS . 70.2 m95 -79.98 132.54 36.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.9 p90 -148.09 158.45 44.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.003 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.684 HG23 HD11 ' A' ' 95' ' ' LEU . 77.4 t -119.55 -45.53 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' ARG . . . -95.33 22.1 7.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 84' ' ' ALA . 3.9 pt-20 36.58 28.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' ALA . 15.3 mmt180 -129.86 -24.91 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -133.26 99.87 4.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.413 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -91.6 150.53 21.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 39.0 m-85 -123.58 -174.7 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -104.54 -25.85 12.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.439 ' HB2' ' CD ' ' A' ' 94' ' ' GLU . 2.3 m -139.22 154.83 48.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.728 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 20.1 mm -59.51 -46.74 98.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.658 0.742 . . . . 0.0 111.174 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.728 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.79 -4.12 13.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.621 2.214 . . . . 0.0 112.383 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.439 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.2 OUTLIER -94.83 -37.91 11.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.684 HD11 HG23 ' A' ' 83' ' ' VAL . 1.4 tt -59.81 -36.14 76.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.575 HG22 ' HG3' ' A' ' 100' ' ' GLN . 19.3 mm -87.93 -15.94 9.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.117 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -56.63 -41.85 77.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -94.44 -49.79 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -41.81 -36.83 1.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.575 ' HG3' HG22 ' A' ' 96' ' ' ILE . 10.5 mt-30 -52.73 -57.0 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -74.39 -48.92 24.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.7 ptt85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.845 0.355 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.917 HD22 ' CG ' ' A' ' 41' ' ' PHE . 26.7 mt -52.05 108.1 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 112' ' ' TYR . 14.0 ptm180 -111.44 -46.3 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.576 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 14.1 m-85 -107.82 87.05 3.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.851 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.77 84.62 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.64 2.227 . . . . 0.0 112.422 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 113' ' ' PRO . 95.3 t -34.06 128.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -78.21 161.58 48.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.66 HD22 HH21 ' A' ' 21' ' ' ARG . 14.6 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 49.6 mt -106.91 -33.28 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -46.96 -39.38 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.489 HG13 ' N ' ' A' ' 16' ' ' TYR . 23.4 pt -48.49 -32.83 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.543 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 62.9 m-85 -76.34 178.63 6.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -113.95 -33.41 5.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.2 p-90 -73.69 3.32 6.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 14.0 t80 -105.26 81.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.584 ' HB3' HG21 ' A' ' 23' ' ' ILE . 49.9 m80 -78.23 88.54 4.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 10.2 ptm180 -85.1 -40.85 16.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -83.51 58.94 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.584 HG21 ' HB3' ' A' ' 20' ' ' HIS . 8.9 pt -146.26 174.43 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.9 t -131.42 164.81 24.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' THR . 6.6 tpp180 -36.74 -50.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.75 -57.37 12.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -48.44 -57.38 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -38.73 -51.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HA ' HD13 ' A' ' 68' ' ' ILE . 15.7 mt-10 -69.89 -55.68 9.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' LEU . 18.6 t60 -48.9 -63.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' HIS . 53.8 mt -34.6 -52.56 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.533 HD21 HG12 ' A' ' 42' ' ' ILE . 39.8 mt -65.12 -51.69 59.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -44.34 -51.98 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -45.97 -47.58 16.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.42 -42.41 92.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p 47.63 52.52 12.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.494 ' HD2' ' CD1' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -148.75 122.29 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -45.93 124.24 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.85 -39.33 2.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.589 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.45 ' N ' ' HB2' ' A' ' 112' ' ' TYR . . . -41.91 108.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.598 ' CG ' HD22 ' A' ' 110' ' ' LEU . 10.9 p90 -126.57 155.84 41.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.533 HG12 HD21 ' A' ' 32' ' ' LEU . 11.1 pt -156.03 157.33 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.15 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.435 HG22 HG12 ' A' ' 54' ' ' ILE . 93.1 t -118.06 103.27 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.546 ' HB3' HD11 ' A' ' 23' ' ' ILE . 8.8 ptm180 -97.8 162.61 13.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.77 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -98.5 134.7 41.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.2 m -81.97 74.12 8.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 46' ' ' SER . 26.8 ttp180 -35.09 -34.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -50.31 -54.35 22.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -134.81 175.68 9.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.05 46.33 1.8 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -120.34 -177.35 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.369 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -129.37 167.81 17.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.961 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.8 m -148.45 149.98 32.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.435 HG12 HG22 ' A' ' 43' ' ' VAL . 33.1 mt -117.72 138.41 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.44 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -119.38 110.6 17.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.0 t -111.88 146.49 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.641 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 45.6 t80 -94.4 103.6 15.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.35 -50.52 59.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.499 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.641 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.767 0.317 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -131.21 130.11 42.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 29' ' ' GLU . 19.9 mt -134.08 128.31 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -105.42 162.54 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.992 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -133.2 105.03 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.559 ' HB3' HG13 ' A' ' 83' ' ' VAL . 11.8 m-85 -97.48 113.75 25.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -77.58 136.04 38.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.1 mt -96.78 105.21 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.247 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -100.1 170.69 8.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.44 ' HD2' ' C ' ' A' ' 79' ' ' GLY . 24.1 ttpp -127.71 121.65 30.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -66.01 -173.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -78.04 12.71 1.69 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -116.9 17.79 14.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.44 ' C ' ' HD2' ' A' ' 75' ' ' LYS . . . 57.6 32.65 65.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.464 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.424 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 67.9 mt-30 -119.28 134.37 55.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -79.62 150.08 31.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 4.2 p90 -160.45 143.93 13.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.559 HG13 ' HB3' ' A' ' 71' ' ' TYR . 71.3 t -105.25 -54.73 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.8 11.29 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.171 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.573 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 17.5 tt0 48.42 26.85 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -131.32 -31.99 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -121.38 103.0 8.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -95.28 145.16 25.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 95' ' ' LEU . 65.5 m-85 -119.01 -175.57 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -103.12 -21.87 13.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.4 m -143.04 153.39 42.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.714 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 16.9 mm -60.0 -47.99 95.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.714 0.769 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.714 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.0 Cg_endo -69.84 2.96 3.1 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 3.0 mm-40 -101.55 -43.06 6.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.564 ' HA ' ' CE1' ' A' ' 89' ' ' PHE . 1.8 tt -55.06 -34.89 63.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.779 HG23 ' CD1' ' A' ' 110' ' ' LEU . 24.7 mm -87.75 -21.51 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.407 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.5 t-105 -52.35 -46.23 66.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' HIS . 7.9 m-85 -90.8 -53.39 4.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' TYR . 1.1 m80 -36.91 -42.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.433 ' HG3' HG22 ' A' ' 96' ' ' ILE . 24.4 mt-30 -40.26 -52.68 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -88.74 -40.16 13.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.779 ' CD1' HG23 ' A' ' 96' ' ' ILE . 14.5 mt -82.83 103.67 12.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -121.63 -31.5 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.494 ' CD1' ' HD2' ' A' ' 37' ' ' LYS . 26.0 m-85 -108.05 82.41 1.49 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.687 0.756 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.502 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 54.7 Cg_endo -69.78 79.96 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.413 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.3 t -47.35 115.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -89.58 152.24 22.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 115' ' ' GLY . 10.2 mp . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.793 0.33 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.859 0.361 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 38.7 mt -115.65 -36.73 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -45.51 -38.3 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.545 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 37.6 pt -49.15 -35.69 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.545 ' CZ ' HD11 ' A' ' 15' ' ' ILE . 38.2 m-85 -84.47 172.85 11.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 17' ' ' GLU . 15.3 pm0 -106.97 -32.43 7.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.473 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 13.9 p-90 -67.67 -3.18 8.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 8.2 t80 -99.61 77.6 2.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -67.88 116.46 8.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.69 149.52 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.0 t30 74.74 44.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.8 pt -134.26 -179.4 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.149 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' ARG . 11.9 t -135.57 167.78 20.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' THR . 8.6 tpp85 -38.0 -54.89 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.792 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -50.11 -52.59 33.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -54.25 -56.51 17.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.42 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -43.58 -61.28 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.029 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.01 -60.65 3.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' LEU . 86.2 t60 -42.29 -64.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' HIS . 27.9 mt -35.25 -52.85 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.421 HD23 HG21 ' A' ' 114' ' ' VAL . 78.9 mt -57.68 -54.06 51.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -41.11 -53.26 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -40.2 -44.87 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -77.17 -41.81 40.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m 43.78 46.67 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.7 pttm -140.89 116.73 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' LYS . 9.2 tt0 -36.56 115.96 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.48 -37.13 1.99 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.78 111.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.752 ' CG ' HD22 ' A' ' 110' ' ' LEU . 3.2 p90 -135.5 157.48 46.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.481 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 25.6 pt -156.45 158.81 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.2 t -122.96 110.81 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -104.97 159.16 16.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -85.48 143.96 28.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 48' ' ' HIS . 4.0 m -92.16 82.71 5.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' SER . 3.4 mtp85 -35.94 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.615 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -58.5 -53.84 53.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.615 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -148.27 -174.97 4.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.8 42.79 1.34 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.465 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.6 p -107.26 -177.53 3.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.931 0.396 . . . . 0.0 110.919 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.559 ' HB2' HD12 ' A' ' 73' ' ' ILE . 96.8 m-85 -149.83 141.54 23.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -124.28 131.42 53.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.3 mt -94.62 139.33 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 m -119.19 98.29 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.436 HG22 ' CB ' ' A' ' 41' ' ' PHE . 28.4 t -101.73 145.16 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.187 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.546 ' HE1' ' HB1' ' A' ' 66' ' ' ALA . 52.9 t80 -92.66 117.85 30.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 mmt -86.35 -54.53 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.57 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.45 -0.399 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.546 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.762 0.315 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.57 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -117.53 131.46 56.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.03 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.9 mt -135.7 132.88 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 1.0 OUTLIER -105.4 174.08 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -143.54 106.6 4.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.43 ' HB3' HG11 ' A' ' 83' ' ' VAL . 3.1 m-85 -100.45 113.75 26.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -82.38 136.65 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 52' ' ' TYR . 62.5 mt -95.38 106.57 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.179 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -98.4 174.41 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -121.5 139.59 53.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 29.2 p30 -86.9 -176.26 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -66.88 -31.01 71.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -83.56 17.46 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.77 48.29 79.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.515 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 54.0 mt-30 -121.92 146.35 47.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.522 ' HE3' HG22 ' A' ' 73' ' ' ILE . 93.0 m95 -85.48 136.61 33.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -155.57 157.29 36.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.43 HG11 ' HB3' ' A' ' 71' ' ' TYR . 83.8 t -130.91 -45.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.64 -7.04 58.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.81 25.07 9.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -133.43 -32.08 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -120.5 113.72 20.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -104.49 143.98 32.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 75.5 m-85 -122.37 -175.64 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -112.83 -21.48 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 m -133.61 148.95 51.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.717 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 19.3 mm -59.22 -47.71 97.75 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.686 0.755 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.717 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.2 Cg_endo -69.8 -5.87 17.26 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.661 2.241 . . . . 0.0 112.394 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -92.8 -39.13 11.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 2.8 tt -58.44 -36.66 73.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.743 HG23 HD12 ' A' ' 110' ' ' LEU . 20.2 mm -87.92 -17.5 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.3 t-105 -55.19 -46.59 75.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 99' ' ' HIS . 11.9 m-85 -88.21 -54.36 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 98' ' ' TYR . 16.8 m80 -36.11 -36.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.83 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -43.8 -54.43 5.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -89.6 -47.81 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.879 0.371 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.752 HD22 ' CG ' ' A' ' 41' ' ' PHE . 23.4 mt -50.01 115.68 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 7.6 ptp180 -126.52 -39.5 2.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -107.0 85.15 1.81 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.669 0.747 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.76 83.31 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.718 2.279 . . . . 0.0 112.343 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.481 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 72.3 t -33.96 124.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.15 156.82 47.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.938 -179.904 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.701 ' N ' HD21 ' A' ' 12' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.885 0.374 . . . . 0.0 110.867 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.517 HD21 ' HD3' ' A' ' 93' ' ' PRO . 95.4 mt -106.4 -38.96 6.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -44.66 -38.98 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.659 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 44.0 pt -47.62 -37.03 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.659 ' CZ ' HD11 ' A' ' 15' ' ' ILE . 13.6 m-85 -80.03 170.22 16.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HB2' ' CA ' ' A' ' 115' ' ' GLY . 1.3 pm0 -105.08 -33.63 8.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.486 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 20.4 p-90 -65.53 -16.05 63.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.584 ' CE2' ' HD3' ' A' ' 21' ' ' ARG . 8.9 t80 -86.05 76.21 9.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 26.1 m-70 -73.26 100.7 3.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.584 ' HD3' ' CE2' ' A' ' 19' ' ' TYR . 21.3 ptt-85 -100.13 163.94 12.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 m120 62.34 41.49 10.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.432 ' HB ' ' CB ' ' A' ' 27' ' ' GLN . 18.9 pt -128.51 177.12 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.52 HG22 ' HG2' ' A' ' 27' ' ' GLN . 10.5 t -130.08 163.38 26.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.0 OUTLIER -34.45 -58.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.84 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -47.78 -51.11 23.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HG2' HG22 ' A' ' 24' ' ' THR . 15.3 mm100 -52.73 -60.77 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -39.15 -64.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.072 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -56.54 -52.43 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' LEU . 86.6 t60 -47.25 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' HIS . 18.2 mt -34.48 -42.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 55' ' ' SER . 55.8 mt -67.34 -55.71 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 6.0 mmm180 -41.44 -48.41 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -44.4 -42.71 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -78.69 -43.6 25.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t 50.4 50.57 18.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.605 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 15.4 ptpt -145.05 140.45 28.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -56.21 125.1 20.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' ALA . . . 122.02 -43.26 1.51 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.462 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . -36.3 109.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 111.154 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 5.8 p90 -133.31 160.31 37.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.473 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 27.5 pt -154.42 164.63 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.4 t -123.53 102.85 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.412 ' HB3' HD11 ' A' ' 23' ' ' ILE . 23.2 ptt85 -99.18 165.42 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.24 138.41 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' HIS . 2.0 m -92.04 74.01 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' SER . 37.1 ttp85 -34.58 -36.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -50.28 -54.61 20.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.836 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.583 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.3 tp -135.23 172.99 12.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.5 45.29 1.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.1 m -123.17 -176.99 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -131.25 170.18 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.8 m -146.27 134.41 21.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.5 mt -100.34 130.58 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.521 ' HB3' HD11 ' A' ' 32' ' ' LEU . 3.6 m -113.43 101.0 8.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.481 HG22 ' CB ' ' A' ' 41' ' ' PHE . 23.9 t -100.14 150.19 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.486 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 73.4 t80 -97.14 102.7 14.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.451 ' HG3' ' CE ' ' A' ' 69' ' ' LYS . 5.6 mmt -69.23 -50.35 47.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.49 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.486 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.801 0.334 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.09 123.01 10.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.3 mt -130.01 137.43 56.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.451 ' CE ' ' HG3' ' A' ' 58' ' ' MET . 14.1 mptt -111.9 161.83 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -130.0 110.9 12.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.935 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -107.13 105.29 15.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.12 125.53 29.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.566 HG12 HG22 ' A' ' 83' ' ' VAL . 57.9 mt -83.35 113.41 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -99.8 177.66 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.834 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' CD ' ' HA2' ' A' ' 79' ' ' GLY . 1.0 OUTLIER -129.07 139.8 51.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.471 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -94.44 -176.84 4.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -56.54 -31.89 64.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.416 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 1.7 m -80.38 16.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 75' ' ' LYS . . . 48.99 39.34 25.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.482 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.496 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . 49.6 mt-30 -111.14 140.33 45.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.411 ' CZ2' ' HE3' ' A' ' 75' ' ' LYS . 75.1 m95 -79.86 140.07 36.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 5.1 p90 -153.67 154.31 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.732 HG23 HD11 ' A' ' 95' ' ' LEU . 92.3 t -112.66 -58.32 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.99 -5.22 33.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.573 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.3 mt-10 68.33 25.02 7.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 86' ' ' ARG . 1.4 mmp_? -133.22 -33.09 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -112.91 104.6 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.496 ' HB1' ' CB ' ' A' ' 80' ' ' GLN . . . -96.38 136.5 36.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 77.4 m-85 -112.03 -174.98 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -103.69 -25.51 13.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -139.56 151.6 46.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.695 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.5 mm -59.25 -49.23 93.88 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.604 0.716 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.695 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.78 1.13 4.73 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 0.1 OUTLIER -99.84 -39.86 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.732 HD11 HG23 ' A' ' 83' ' ' VAL . 1.1 tt -56.05 -38.22 70.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.469 HG23 ' CD1' ' A' ' 110' ' ' LEU . 17.2 mm -81.69 -28.65 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.423 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.8 t-105 -44.09 -45.23 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -85.38 -43.17 13.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -43.09 -39.95 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -55.5 -43.96 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -79.18 -44.8 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.83 0.347 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 16.9 mt -45.96 121.05 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 57.1 mtp85 -116.09 -59.16 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.605 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 13.0 m-85 -102.35 96.77 7.61 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.659 0.742 . . . . 0.0 110.937 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 112' ' ' TYR . 53.9 Cg_endo -69.7 79.16 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.473 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 90.4 t -38.38 112.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.445 ' CA ' ' HB2' ' A' ' 17' ' ' GLU . . . -102.86 154.95 18.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.508 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 17' ' ' GLU . 10.3 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.602 ' N ' HD21 ' A' ' 12' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.892 0.377 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.0 mt -120.93 -27.96 4.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -48.97 -39.22 25.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 16' ' ' TYR . 22.2 pt -52.34 -29.31 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.065 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 41.2 m-85 -80.14 166.99 20.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.56 -32.32 8.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.4 p-90 -75.43 5.87 5.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.41 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 11.7 t80 -104.3 75.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -74.98 102.64 4.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -99.79 157.67 16.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.03 43.58 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.927 HD11 ' HB3' ' A' ' 44' ' ' ARG . 16.1 pt -131.11 173.79 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.5 t -133.57 169.24 17.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -41.67 -46.51 3.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -57.22 -49.97 74.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -57.41 -55.16 38.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.52 -59.75 3.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.565 ' HA ' HD13 ' A' ' 68' ' ' ILE . 17.9 mt-10 -53.74 -57.19 11.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' LEU . 61.0 t60 -53.56 -66.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' HIS . 23.0 mt -34.25 -54.16 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.462 HD11 ' HB3' ' A' ' 55' ' ' SER . 48.1 mt -54.37 -52.55 61.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -48.19 -26.63 2.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 18.7 mm-40 -57.67 -36.07 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -88.5 -40.54 13.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.2 p 51.85 46.74 26.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.485 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 3.5 ptpt -146.98 127.96 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -44.05 136.53 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.41 -34.32 5.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.58 108.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.363 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.675 ' CG ' HD22 ' A' ' 110' ' ' LEU . 16.0 p90 -132.82 162.56 31.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.597 HG23 ' O ' ' A' ' 41' ' ' PHE . 16.8 pt -160.52 156.77 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.432 HG22 HG12 ' A' ' 54' ' ' ILE . 95.3 t -116.68 114.43 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.195 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.927 ' HB3' HD11 ' A' ' 23' ' ' ILE . 18.7 ptt85 -111.1 162.95 14.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.81 137.91 31.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.4 m -74.03 139.08 44.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -81.59 -46.05 14.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.5 p80 -50.71 -38.87 49.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.628 HD23 ' N ' ' A' ' 50' ' ' GLY . 0.8 OUTLIER -156.18 176.59 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.628 ' N ' HD23 ' A' ' 49' ' ' LEU . . . -74.11 45.33 1.41 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.13 -177.4 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.863 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.475 ' HB3' HD12 ' A' ' 73' ' ' ILE . 58.8 m-85 -130.01 153.69 48.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.4 m -145.29 134.75 23.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.432 HG12 HG22 ' A' ' 43' ' ' VAL . 41.1 mt -102.69 131.33 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.462 ' HB3' HD11 ' A' ' 32' ' ' LEU . 27.3 m -114.16 102.37 10.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.558 HG22 ' CB ' ' A' ' 41' ' ' PHE . 33.2 t -101.5 148.02 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.531 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 55.6 t80 -99.8 110.36 22.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mmt -69.09 -54.19 16.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.531 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.432 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.788 0.328 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.4 133.72 51.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.05 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.565 HD13 ' HA ' ' A' ' 29' ' ' GLU . 24.8 mt -135.2 126.21 45.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.518 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 11.9 mptt -101.31 167.19 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -139.22 107.2 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 2.3 m-85 -100.2 104.87 16.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -74.93 124.9 27.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.475 HD12 ' HB3' ' A' ' 52' ' ' TYR . 19.0 mt -85.58 101.9 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.071 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 1.1 mppt? -96.41 172.38 7.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -125.07 139.03 54.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.458 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -97.56 -177.12 3.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.54 -31.34 64.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.407 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 2.4 m -80.79 18.47 0.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 47.1 41.26 14.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.438 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.506 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 60.0 mt-30 -112.32 137.72 50.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.931 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.414 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 85.4 m95 -82.43 132.91 35.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.472 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.8 p90 -151.88 155.61 38.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.513 HG22 HD11 ' A' ' 95' ' ' LEU . 5.1 m -125.3 -43.58 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.12 -2.33 36.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.3 mt-10 59.08 25.0 13.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -132.97 -32.34 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -120.74 114.58 21.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -105.84 135.93 46.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 54.5 m-85 -110.82 -175.84 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -104.05 -27.9 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.0 m -135.95 155.58 50.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.689 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.2 mm -60.44 -48.91 92.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.074 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.689 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.9 Cg_endo -69.71 2.58 3.38 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 10.7 mt-10 -99.35 -42.77 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 1.3 tt -55.49 -34.68 64.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.54 HD13 HD23 ' A' ' 95' ' ' LEU . 7.0 mm -88.81 -19.47 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.061 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.402 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.1 t-105 -54.46 -47.4 72.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -84.22 -49.84 8.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -40.64 -39.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -56.15 -41.38 75.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -82.9 -55.28 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.6 ptt85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.855 0.359 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.675 HD22 ' CG ' ' A' ' 41' ' ' PHE . 53.0 mt -44.81 134.62 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.487 ' HG3' ' CD2' ' A' ' 112' ' ' TYR . 0.7 OUTLIER -134.98 -50.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.487 ' CD2' ' HG3' ' A' ' 111' ' ' ARG . 11.1 m-85 -105.53 90.17 3.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.685 0.755 . . . . 0.0 110.856 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.497 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.86 79.6 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.66 2.24 . . . . 0.0 112.293 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 69.7 t -48.16 123.36 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.56 -179.16 33.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.82 0.343 . . . . 0.0 110.945 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.811 0.339 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.595 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 6.5 mt -72.19 -20.73 61.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -47.1 -36.16 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.479 HG13 ' N ' ' A' ' 16' ' ' TYR . 31.5 pt -52.53 -33.23 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.479 ' N ' HG13 ' A' ' 15' ' ' ILE . 63.4 m-85 -77.49 -178.21 5.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.84 -36.42 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.4 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 10.0 p-90 -68.11 -2.29 7.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.595 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 5.5 t80 -97.23 89.42 4.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.401 ' CD2' ' CG2' ' A' ' 42' ' ' ILE . 42.5 m-70 -82.44 106.49 14.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 7.2 ptm180 -109.02 155.2 21.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 73.26 40.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.0 pt -133.08 178.2 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.4 t -133.81 164.58 26.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 24' ' ' THR . 20.4 ttt180 -36.54 -53.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -51.01 -51.0 57.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -57.34 -57.99 10.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.41 -48.9 3.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.488 ' HA ' HD12 ' A' ' 32' ' ' LEU . 14.6 mt-10 -69.08 -57.4 5.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -45.98 -60.05 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.6 mt -41.01 -47.22 3.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 29' ' ' GLU . 6.6 mt -66.77 -46.1 76.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -43.2 -43.11 4.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -56.51 -44.26 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.78 -54.17 45.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.581 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 45.9 p 52.82 52.17 14.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -156.55 119.29 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.441 ' O ' ' NE ' ' A' ' 111' ' ' ARG . 20.9 tt0 -43.23 117.97 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.69 -36.3 2.09 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.39 113.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.769 ' CG ' HD22 ' A' ' 110' ' ' LEU . 6.4 p90 -133.44 155.31 49.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.401 ' CG2' ' CD2' ' A' ' 20' ' ' HIS . 16.2 pt -150.62 164.78 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.7 t -122.59 105.78 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 44' ' ' ARG . 1.6 ptm85 -101.98 161.62 13.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.4 OUTLIER -93.59 142.14 27.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' HIS . 2.5 m -92.45 76.09 5.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -35.26 -32.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -53.05 -52.7 57.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 1.2 tp -137.86 177.17 8.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.42 45.7 1.83 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.8 m -124.78 -177.72 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.371 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -133.29 170.54 15.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.937 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.7 m -146.43 146.12 30.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.7 mt -105.5 140.59 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -124.31 100.81 6.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.605 HG22 ' CB ' ' A' ' 41' ' ' PHE . 19.7 t -102.63 147.95 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.654 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 44.2 t80 -95.31 96.43 9.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.816 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.0 mmt -59.33 -50.46 73.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.474 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.439 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.654 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.762 0.315 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.58 124.15 41.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.7 mt -130.52 128.14 63.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -102.02 155.64 18.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -125.88 106.24 9.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.433 ' HB3' HG13 ' A' ' 83' ' ' VAL . 7.5 m-85 -98.6 103.53 15.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -74.72 119.54 19.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.2 mt -80.49 99.92 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -97.79 178.07 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -113.21 130.93 56.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.577 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -82.47 -174.88 5.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -61.28 -31.11 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.412 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 4.2 m -77.31 13.69 1.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.53 34.44 55.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.577 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 19.9 mm-40 -119.96 159.62 24.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.726 0.298 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -81.02 144.57 31.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.501 ' CD2' ' HB3' ' A' ' 76' ' ' ASN . 16.3 p90 -158.85 155.21 27.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.433 HG13 ' HB3' ' A' ' 71' ' ' TYR . 76.4 t -125.4 -53.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.26 2.32 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.498 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 2.2 mt-10 57.48 26.31 12.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -134.95 -32.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -123.87 129.9 51.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.801 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.449 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -117.92 168.92 10.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 25.2 m-85 -144.88 170.02 16.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.798 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -94.55 -17.29 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -137.86 147.29 44.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.707 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 13.1 mm -60.17 -48.06 95.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.622 0.725 . . . . 0.0 111.2 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.707 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.3 Cg_endo -69.92 0.73 5.34 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.627 2.218 . . . . 0.0 112.315 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -98.47 -39.95 8.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.6 tt -57.2 -35.34 69.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.433 HD13 HD23 ' A' ' 95' ' ' LEU . 8.8 mm -87.56 -20.52 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -52.93 -44.88 67.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.988 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -85.81 -52.15 5.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -38.84 -34.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -54.15 -53.62 50.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -74.72 -54.82 6.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.9 p30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 110' ' ' LEU . 10.5 ttp180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.769 HD22 ' CG ' ' A' ' 41' ' ' PHE . 46.9 mt -32.52 109.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.441 ' NE ' ' O ' ' A' ' 38' ' ' GLU . 16.1 ptt180 -122.71 -32.01 3.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -109.19 83.68 2.47 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.683 0.754 . . . . 0.0 110.942 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.47 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.77 79.56 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.1 t -46.21 111.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.69 160.83 50.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.951 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.864 0.364 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.601 HD21 ' HD3' ' A' ' 93' ' ' PRO . 32.1 mt -116.5 -31.69 5.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -42.98 -40.88 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.502 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 37.0 pt -45.84 -39.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.502 ' CZ ' HD11 ' A' ' 15' ' ' ILE . 23.2 m-85 -75.09 164.34 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -102.95 -29.28 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.437 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 17.2 p-90 -71.49 -10.66 60.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.498 ' CG ' ' O ' ' A' ' 19' ' ' TYR . 3.8 t80 -87.93 74.49 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.496 ' CD2' HG22 ' A' ' 42' ' ' ILE . 11.4 m-70 -70.14 110.89 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.62 156.99 22.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.0 t30 69.79 39.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.502 HD11 ' HB3' ' A' ' 44' ' ' ARG . 11.4 pt -129.82 176.99 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.466 HG22 ' HG2' ' A' ' 27' ' ' GLN . 13.7 t -131.67 162.13 31.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.5 tpp85 -35.72 -52.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -53.03 -51.72 60.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.466 ' HG2' HG22 ' A' ' 24' ' ' THR . 15.8 mm100 -55.5 -53.58 54.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.08 -58.38 4.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -62.95 -60.46 3.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 31' ' ' LEU . 34.5 t-80 -44.08 -63.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' HIS . 53.2 mt -35.41 -50.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.408 HD11 ' HB3' ' A' ' 55' ' ' SER . 24.7 mt -58.59 -51.21 70.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -41.42 -43.98 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -51.67 -40.44 60.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -73.51 -47.66 39.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.585 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 6.1 m 52.91 47.24 25.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.583 ' HD2' ' CD1' ' A' ' 112' ' ' TYR . 7.3 ptpp? -144.24 153.25 41.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -76.81 115.13 16.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 111' ' ' ARG . . . 137.52 -33.59 2.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 112' ' ' TYR . . . -50.53 132.04 25.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 111.058 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.782 ' CD2' HD13 ' A' ' 110' ' ' LEU . 9.4 p90 -153.58 158.77 41.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 41' ' ' PHE . 17.2 pt -158.16 156.8 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.46 HG22 HG12 ' A' ' 54' ' ' ILE . 67.1 t -120.2 108.5 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' HB3' HD11 ' A' ' 23' ' ' ILE . 7.7 ptm180 -98.11 164.29 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.53 134.65 40.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' LEU . 73.1 m -72.3 135.17 45.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -79.2 -45.68 19.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.3 p80 -52.83 -39.44 62.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 6.4 tp -154.88 178.06 10.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.53 45.68 1.57 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.57 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 m -95.63 179.58 5.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.908 0.385 . . . . 0.0 110.82 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.805 ' HB2' HD12 ' A' ' 73' ' ' ILE . 41.0 m-85 -140.18 139.06 35.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 71' ' ' TYR . 63.1 m -130.02 129.31 43.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.46 HG12 HG22 ' A' ' 43' ' ' VAL . 11.7 mt -92.44 146.53 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.206 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.408 ' HB3' HD11 ' A' ' 32' ' ' LEU . 18.2 m -132.11 100.42 5.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.534 HG22 ' CB ' ' A' ' 41' ' ' PHE . 28.9 t -99.34 150.92 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.585 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 28.8 t80 -98.66 120.82 39.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.421 ' CG ' ' HD3' ' A' ' 69' ' ' LYS . 10.8 mmt -89.56 -49.75 6.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.406 ' CA ' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.524 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.83 0.348 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -120.71 134.47 55.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.5 mt -138.54 134.38 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.09 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 1.2 mptp? -101.72 164.54 11.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -138.11 105.03 5.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.587 ' O ' HG23 ' A' ' 53' ' ' THR . 4.7 m-85 -101.17 134.91 43.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -99.93 144.39 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.805 HD12 ' HB2' ' A' ' 52' ' ' TYR . 65.8 mt -108.21 110.97 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -118.12 165.14 14.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -112.68 131.28 55.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -82.63 -177.94 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -58.36 -30.39 66.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.407 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 1.5 t -80.71 16.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 49.56 51.36 27.92 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.641 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . 86.6 mt-30 -130.54 142.22 50.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -79.6 138.87 37.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.521 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 8.6 p90 -155.01 160.31 40.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.767 HG23 HD11 ' A' ' 95' ' ' LEU . 88.3 t -125.39 -50.17 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.1 1.79 20.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.521 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 2.3 mt-10 60.88 24.94 14.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -133.25 -32.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -115.32 116.67 28.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.641 ' HB1' ' CB ' ' A' ' 80' ' ' GLN . . . -106.78 142.11 36.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 54.3 m-85 -118.84 -175.67 2.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -110.02 -24.44 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 m -134.72 151.5 51.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.68 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 9.8 mm -59.73 -49.27 92.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.68 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.9 Cg_endo -69.71 -1.13 7.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 9.1 mt-10 -96.55 -38.98 9.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.767 HD11 HG23 ' A' ' 83' ' ' VAL . 1.3 tt -57.38 -38.17 73.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.589 HD13 HD23 ' A' ' 95' ' ' LEU . 17.0 mm -84.36 -24.92 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.412 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.2 t-105 -47.07 -44.84 21.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.487 ' O ' ' N ' ' A' ' 100' ' ' GLN . 4.8 m-85 -86.67 -54.59 4.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 98' ' ' TYR . 0.7 OUTLIER -34.38 -33.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 98' ' ' TYR . 30.5 mt-30 -64.89 -53.9 39.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 98' ' ' TYR . 3.5 m170 -64.96 -47.3 78.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.782 HD13 ' CD2' ' A' ' 41' ' ' PHE . 9.2 mt -94.67 123.52 38.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.409 ' HG2' ' HA3' ' A' ' 39' ' ' GLY . 20.9 ptt180 -126.88 -23.9 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.583 ' CD1' ' HD2' ' A' ' 37' ' ' LYS . 14.0 m-85 -110.87 84.35 4.21 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.656 0.741 . . . . 0.0 110.972 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.454 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 54.1 Cg_endo -69.73 79.75 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.615 2.21 . . . . 0.0 112.325 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 69.4 t -37.93 121.62 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.76 163.4 40.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.778 0.323 . . . . 0.0 110.935 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.9 t30 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 35.0 mt -110.69 -26.36 9.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -45.49 -41.44 9.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 16' ' ' TYR . 45.3 pt -49.19 -35.48 8.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.039 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 44.3 m-85 -74.35 167.97 20.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -105.55 -30.31 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.41 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 10.0 p-90 -75.28 4.91 6.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.575 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 12.8 t80 -108.24 78.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.584 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 23.8 m-70 -77.45 90.33 3.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.804 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 4.5 ptm180 -84.09 -39.08 19.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 49.7 t-20 -83.51 59.41 5.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 20' ' ' HIS . 8.1 pt -150.06 176.59 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.553 HG22 ' HG2' ' A' ' 27' ' ' GLN . 13.6 t -133.62 165.67 24.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 24' ' ' THR . 10.3 ttp-105 -33.66 -58.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -50.39 -62.57 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.553 ' HG2' HG22 ' A' ' 24' ' ' THR . 14.4 mm100 -41.27 -53.59 3.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.38 -63.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -58.91 -59.57 5.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' LEU . 10.6 t-80 -43.7 -65.67 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' HIS . 71.0 mt -34.73 -52.03 0.51 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 35' ' ' GLU . 80.3 mt -59.32 -51.35 70.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -39.38 -48.96 1.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -54.4 -39.09 66.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HG3' HG22 ' A' ' 114' ' ' VAL . 4.8 mm-40 -67.45 -47.73 69.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 9.8 t 46.28 54.66 8.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.461 ' CD ' ' CD2' ' A' ' 112' ' ' TYR . 10.1 ptpt -155.23 123.39 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -45.71 121.55 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.42 -40.89 1.68 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.19 106.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.63 ' O ' HG23 ' A' ' 42' ' ' ILE . 6.5 p90 -130.97 164.02 26.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 41' ' ' PHE . 7.8 pt -161.51 160.56 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.075 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.441 HG22 HG12 ' A' ' 54' ' ' ILE . 61.1 t -120.33 105.45 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.134 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.499 ' HB3' HD11 ' A' ' 23' ' ' ILE . 33.3 ptt85 -100.39 166.24 11.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.47 152.13 22.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' HIS . 28.4 m -89.36 85.01 6.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' SER . 6.0 mmm180 -35.89 -30.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.634 ' NE2' HD12 ' A' ' 49' ' ' LEU . 3.2 t60 -64.12 -63.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.634 HD12 ' NE2' ' A' ' 48' ' ' HIS . 12.6 mt -135.56 -174.86 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.04 49.0 2.12 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.4 t -108.61 -178.66 3.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.382 . . . . 0.0 110.816 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CB ' HD12 ' A' ' 73' ' ' ILE . 59.7 m-85 -134.79 144.48 47.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.0 m -133.83 139.82 46.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.441 HG12 HG22 ' A' ' 43' ' ' VAL . 20.3 mt -107.24 143.37 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 m -125.4 100.36 6.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.8 t -95.22 136.21 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 50.3 t80 -85.19 94.24 8.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ALA . 4.8 mtt -65.42 -48.18 73.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.578 ' N ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.224 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.445 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.772 0.32 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.578 ' HB3' ' N ' ' A' ' 59' ' ' GLY . . . -125.2 123.45 39.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.6 mt -132.79 126.86 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -103.04 158.8 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.805 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -124.4 110.39 14.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.493 ' HB3' HG13 ' A' ' 83' ' ' VAL . 6.7 m-85 -104.29 116.66 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -84.43 120.08 25.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.41 HD12 ' CB ' ' A' ' 52' ' ' TYR . 80.2 mt -77.51 100.05 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.189 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -97.3 177.51 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -117.12 131.59 56.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.476 ' OD1' ' N ' ' A' ' 78' ' ' SER . 35.1 p30 -74.95 -174.97 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -67.48 -33.07 74.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.476 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 1.8 m -72.41 -10.04 59.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . 84.9 33.66 17.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -117.75 158.96 23.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.773 0.32 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -82.35 145.04 30.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -158.29 153.71 25.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.755 HG23 HD11 ' A' ' 95' ' ' LEU . 87.0 t -121.54 -51.73 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.06 15.61 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.05 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 44.72 28.5 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -133.35 -32.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -126.36 124.33 40.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.403 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -111.71 168.84 9.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.58 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 28.3 m-85 -143.26 170.38 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -94.96 -17.67 21.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -138.85 149.24 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.702 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 11.7 mm -60.3 -47.95 95.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.702 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.76 0.53 5.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 16.7 mm-40 -97.91 -39.75 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.755 HD11 HG23 ' A' ' 83' ' ' VAL . 2.0 tt -57.73 -35.85 71.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.602 HG23 ' CD1' ' A' ' 110' ' ' LEU . 22.3 mm -85.81 -21.21 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.062 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.408 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 20.5 t-105 -52.39 -52.38 53.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -85.31 -51.28 6.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -41.07 -38.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -39.8 -44.57 1.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -98.48 -37.65 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.61 HD13 ' CE2' ' A' ' 41' ' ' PHE . 7.1 mt -88.19 113.38 23.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.7 mtt-85 -114.54 -49.8 2.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.461 ' CD2' ' CD ' ' A' ' 37' ' ' LYS . 9.7 m-85 -104.59 93.32 5.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.66 0.743 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.71 80.47 0.86 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.371 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.485 HG22 ' HG3' ' A' ' 35' ' ' GLU . 59.1 t -34.18 124.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.99 161.93 44.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.584 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.5 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 t -141.14 109.7 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.883 0.373 . . . . 0.0 110.934 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -134.43 121.83 21.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.71 -171.6 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -127.36 174.79 8.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 0.0 110.799 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -80.89 119.45 23.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.47 -176.24 22.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -85.24 147.54 26.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -82.4 152.19 26.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.49 -49.67 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 m -62.9 124.92 22.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -123.3 115.55 21.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.594 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 59.1 mt -113.93 -35.42 5.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -45.86 -35.01 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 16' ' ' TYR . 40.5 pt -53.67 -37.3 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.464 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 63.2 m-85 -73.92 -176.15 2.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.515 ' O ' HD12 ' A' ' 116' ' ' LEU . 4.6 pt-20 -116.62 -39.53 3.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.412 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 12.4 p-90 -65.22 -5.29 6.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 16.6 t80 -96.69 82.94 3.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.55 ' HB3' HD13 ' A' ' 23' ' ' ILE . 24.5 m-70 -77.43 100.94 6.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -98.83 161.89 13.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m120 62.39 43.25 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.607 HD11 ' HB3' ' A' ' 44' ' ' ARG . 9.7 pt -131.7 174.75 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.525 HG22 ' HG2' ' A' ' 27' ' ' GLN . 15.3 t -133.7 165.78 24.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' THR . 15.7 ttp180 -34.21 -58.81 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -47.22 -51.48 18.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.525 ' HG2' HG22 ' A' ' 24' ' ' THR . 19.9 mm100 -55.53 -60.04 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.66 -62.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.86 -60.39 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -37.59 -54.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.427 HD13 ' CE1' ' A' ' 20' ' ' HIS . 42.3 mt -50.63 -50.41 54.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.595 HD21 HG12 ' A' ' 42' ' ' ILE . 52.4 mt -61.08 -46.87 88.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -46.26 -39.79 10.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -59.15 -44.59 92.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.502 ' OE2' ' CE ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -70.98 -45.58 63.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.548 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 43.1 p 43.14 48.38 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.569 ' HD2' ' CD1' ' A' ' 112' ' ' TYR . 11.8 pttt -146.69 123.16 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -40.36 119.76 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.61 -40.0 1.88 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.47 104.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.646 ' CB ' HG22 ' A' ' 56' ' ' VAL . 6.2 p90 -125.43 167.4 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.678 HG23 ' HB ' ' A' ' 114' ' ' VAL . 5.0 pt -159.81 175.19 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.449 HG22 HG12 ' A' ' 54' ' ' ILE . 95.7 t -140.02 123.53 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.607 ' HB3' HD11 ' A' ' 23' ' ' ILE . 6.9 ptm180 -130.71 173.78 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.87 155.92 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' HIS . 0.8 OUTLIER -93.86 93.82 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.2 tpm_? -37.45 -26.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.614 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -74.31 -54.01 8.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.614 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 10.4 tp -131.31 166.63 20.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -73.58 45.86 1.31 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -108.29 -177.04 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -133.41 137.09 45.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.8 m -120.62 140.36 51.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.449 HG12 HG22 ' A' ' 43' ' ' VAL . 26.6 mt -100.53 125.0 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.12 108.54 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.646 HG22 ' CB ' ' A' ' 41' ' ' PHE . 29.0 t -110.23 155.54 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.548 ' CE2' ' HA ' ' A' ' 36' ' ' SER . 63.1 t80 -103.35 110.95 23.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' ALA . 7.0 mmt -81.88 -37.5 26.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.571 ' N ' ' HB3' ' A' ' 67' ' ' ALA . . . 70.31 135.33 0.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.487 ' HB3' ' H ' ' A' ' 65' ' ' GLU . . . -48.38 177.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 111.079 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -79.43 -61.72 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 63' ' ' SER . 14.1 mmm180 -85.24 39.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 62' ' ' ARG . 63.9 m 34.95 42.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.0 m -108.11 -23.85 11.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.176 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.487 ' H ' ' HB3' ' A' ' 60' ' ' ALA . 21.8 mt-10 -131.84 -175.14 3.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.403 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . -116.16 150.25 37.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.571 ' HB3' ' N ' ' A' ' 59' ' ' GLY . . . -143.34 127.12 17.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.42 ' CG2' HD12 ' A' ' 32' ' ' LEU . 20.8 mt -132.49 127.03 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -102.12 163.29 12.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -134.11 104.74 6.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.801 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.638 ' HB3' HG13 ' A' ' 83' ' ' VAL . 17.9 m-85 -98.01 102.16 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.61 126.46 29.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.529 HG12 HG22 ' A' ' 83' ' ' VAL . 69.8 mt -87.32 109.29 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -99.76 174.92 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.429 ' CG ' ' HA2' ' A' ' 79' ' ' GLY . 23.3 ttpp -129.72 142.91 50.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.947 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -98.9 -178.72 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -31.92 61.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.405 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 3.2 m -79.6 14.06 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.429 ' HA2' ' CG ' ' A' ' 75' ' ' LYS . . . 50.66 42.73 45.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.527 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.528 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 26.8 mt-30 -116.38 135.92 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.417 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 72.1 m95 -80.07 138.7 37.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 3.9 p90 -150.14 142.68 24.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.974 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.638 HG13 ' HB3' ' A' ' 71' ' ' TYR . 77.9 t -108.02 -43.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.69 9.05 28.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 14.0 tt0 50.97 25.97 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -131.26 -32.19 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -120.27 109.81 15.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -99.63 138.67 36.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 72.2 m-85 -113.89 -176.1 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -106.82 -21.43 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -139.69 150.9 45.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.709 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 16.0 mm -58.63 -48.38 96.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.607 0.718 . . . . 0.0 111.087 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.709 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.65 -2.73 10.59 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.411 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 9.1 mt-10 -95.93 -37.06 10.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.634 HD11 HG23 ' A' ' 83' ' ' VAL . 2.5 tt -59.99 -37.56 80.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.3 mm -85.97 -17.93 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.405 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.0 t-105 -54.52 -44.26 72.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 99' ' ' HIS . 9.0 m-85 -87.33 -52.71 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 98' ' ' TYR . 11.1 m80 -34.9 -47.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -47.49 -46.68 27.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 98' ' ' TYR . 7.3 m-70 -76.49 -36.83 57.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 103' ' ' ALA . 5.3 p30 -155.11 107.32 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.527 ' O ' ' HB3' ' A' ' 104' ' ' ALA . . . -36.21 -72.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 103' ' ' ALA . . . 73.42 38.42 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 106' ' ' LEU . . . -178.16 62.65 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.545 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 105' ' ' GLY . 13.4 tp 33.77 40.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 110.951 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.448 ' HG2' ' N ' ' A' ' 108' ' ' THR . 21.3 ttm -131.26 150.32 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.448 ' N ' ' HG2' ' A' ' 107' ' ' MET . 14.0 t -66.09 144.28 56.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.5 ttm180 -71.95 99.72 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.487 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 23.5 mt -35.24 122.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.404 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 83.9 mtt180 -114.68 -52.52 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.569 ' CD1' ' HD2' ' A' ' 37' ' ' LYS . 27.9 m-85 -104.83 92.02 4.8 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.694 0.759 . . . . 0.0 110.993 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.472 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 53.9 Cg_endo -69.76 79.93 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.238 . . . . 0.0 112.349 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.678 ' HB ' HG23 ' A' ' 42' ' ' ILE . 66.0 t -47.94 113.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -101.49 162.74 17.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 17' ' ' GLU . 10.0 mp -37.27 -58.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 0.0 110.924 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.6 ptp -72.04 89.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.59 161.33 31.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.558 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.5 t -65.14 -69.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.3 t -173.59 146.42 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -161.08 138.52 5.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 163.73 37.14 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.69 2.26 . . . . 0.0 112.403 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.9 p -105.17 145.53 30.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.3 t -49.82 167.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t 70.69 42.08 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.9 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 p -172.1 139.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.822 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.18 97.77 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.437 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -47.71 -51.9 20.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.405 . . . . 0.0 110.881 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -73.48 167.38 21.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.84 151.56 41.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -150.16 146.42 26.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -60.84 132.79 55.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.2 mt -48.63 -67.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.123 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.2 m -154.23 110.76 3.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -93.47 109.87 21.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.534 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 58.3 mt -109.26 -34.05 6.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -47.18 -35.14 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 16' ' ' TYR . 31.6 pt -51.23 -34.23 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.486 ' N ' HG13 ' A' ' 15' ' ' ILE . 62.9 m-85 -74.22 -174.94 2.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.87 -34.29 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.432 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 8.7 p-90 -73.92 3.32 6.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 18.5 t80 -106.91 87.99 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.935 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 23.2 m-70 -86.17 95.51 9.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 8.5 ptm180 -90.37 -43.5 10.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -75.78 54.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' A' ' 20' ' ' HIS . 7.2 pt -148.85 172.28 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 t -129.38 165.39 21.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -37.3 -50.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -55.53 -54.45 43.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -52.1 -57.04 10.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.41 -64.42 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.478 ' HG2' HG21 ' A' ' 68' ' ' ILE . 16.1 mt-10 -56.5 -59.13 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.44 ' O ' ' C ' ' A' ' 31' ' ' LEU . 44.1 t60 -43.33 -65.8 0.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' HIS . 74.1 mt -34.29 -54.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.67 HD22 ' HB1' ' A' ' 40' ' ' ALA . 39.4 mt -62.56 -48.07 81.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.62 ' CD ' ' HB3' ' A' ' 66' ' ' ALA . 52.3 mmm-85 -47.54 -49.4 26.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -56.55 -46.35 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -62.46 -46.88 86.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 5.4 t 51.83 51.91 15.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -144.18 115.32 7.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -39.28 150.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . 99.31 -44.35 1.69 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.67 ' HB1' HD22 ' A' ' 32' ' ' LEU . . . -33.44 104.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 111.094 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 113' ' ' PRO . 1.4 p90 -133.45 131.91 40.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.6 pt -136.75 146.19 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.781 HG22 HG12 ' A' ' 54' ' ' ILE . 70.8 t -101.7 99.0 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -91.83 164.39 13.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -92.04 137.43 32.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.798 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.2 m -77.49 136.15 38.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -84.26 -46.16 12.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -50.44 -32.95 19.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.497 ' HG ' ' N ' ' A' ' 50' ' ' GLY . 52.3 tp -162.8 171.11 17.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.497 ' N ' ' HG ' ' A' ' 49' ' ' LEU . . . -72.7 46.69 1.14 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.503 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -97.38 -176.98 3.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -130.72 130.88 44.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -131.72 138.08 48.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.781 HG12 HG22 ' A' ' 43' ' ' VAL . 17.5 mt -102.88 144.21 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.409 ' O ' HD11 ' A' ' 32' ' ' LEU . 3.4 m -119.61 99.94 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.33 150.01 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.574 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 56.5 t80 -101.62 117.79 35.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.416 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 4.1 mmt -79.05 -51.29 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.795 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.574 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . 117.23 135.92 5.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.688 ' HB2' ' HA ' ' A' ' 66' ' ' ALA . . . -73.36 71.83 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -97.89 40.18 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -174.68 157.01 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.491 ' C ' ' O ' ' A' ' 62' ' ' ARG . 22.9 t -30.79 -38.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 62' ' ' ARG . 84.0 m -69.44 139.09 53.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.107 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' A' ' 65' ' ' GLU . 7.0 mp0 -52.85 -174.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.688 ' HA ' ' HB2' ' A' ' 60' ' ' ALA . . . -41.8 164.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.416 ' HB3' ' HB2' ' A' ' 58' ' ' MET . . . -130.41 128.09 40.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.478 HG21 ' HG2' ' A' ' 29' ' ' GLU . 20.7 mt -133.63 127.43 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -102.62 158.82 15.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -124.03 104.74 9.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.531 ' CE2' ' SD ' ' A' ' 107' ' ' MET . 37.5 m-85 -99.41 108.35 20.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -85.01 125.66 32.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.466 HD11 HD11 ' A' ' 54' ' ' ILE . 73.3 mt -81.9 112.58 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -97.78 179.33 4.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.428 ' NZ ' ' CE2' ' A' ' 81' ' ' TRP . 8.4 ttmm -126.49 140.51 52.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.443 ' C ' ' OD1' ' A' ' 76' ' ' ASN . 24.7 p-10 -88.84 -175.1 4.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.78 -30.19 69.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -85.21 19.38 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.09 51.03 58.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.622 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 68.4 mt-30 -125.0 137.67 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.883 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.442 ' HE3' HG22 ' A' ' 73' ' ' ILE . 91.7 m95 -79.89 142.81 34.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.443 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.9 p90 -158.3 157.13 31.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.97 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.452 ' CG2' HG12 ' A' ' 73' ' ' ILE . 39.0 t -121.12 -46.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.175 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.83 16.49 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 45.27 26.49 0.27 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -130.19 -31.13 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -120.25 113.8 20.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.762 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.622 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -107.06 139.08 42.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.517 ' CG ' ' HA ' ' A' ' 95' ' ' LEU . 86.4 m-85 -117.23 -175.39 2.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -106.65 -24.46 12.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.3 m -136.73 150.2 48.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.713 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 19.7 mm -59.48 -47.9 96.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.595 0.712 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.713 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.6 Cg_endo -69.77 -5.16 15.54 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 0.1 OUTLIER -93.36 -39.95 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.597 HD23 HD13 ' A' ' 96' ' ' ILE . 1.5 tt -55.92 -38.79 70.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.597 HD13 HD23 ' A' ' 95' ' ' LEU . 17.8 mm -83.83 -28.27 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.403 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.9 t-105 -43.33 -44.75 5.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.439 ' CE2' ' OD1' ' A' ' 102' ' ' ASN . 9.0 t80 -91.17 -52.72 4.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.574 ' HB3' HD12 ' A' ' 110' ' ' LEU . 2.0 t-80 -36.99 -35.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.447 ' HG3' HG22 ' A' ' 96' ' ' ILE . 21.2 mt-30 -53.27 -48.29 68.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -103.98 39.76 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.439 ' OD1' ' CE2' ' A' ' 98' ' ' TYR . 21.7 m120 -163.24 133.21 4.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 104' ' ' ALA . . . -84.45 41.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 103' ' ' ALA . . . -33.84 135.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 53.65 -177.82 0.2 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.53 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 107' ' ' MET . 4.6 mm? -62.84 -43.22 99.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.966 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.689 ' HE1' HD21 ' A' ' 110' ' ' LEU . 7.4 ttt -37.41 142.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.0 t -62.64 148.63 45.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.062 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -49.48 151.21 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.689 HD21 ' HE1' ' A' ' 107' ' ' MET . 12.3 mt -85.17 77.99 9.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 39' ' ' GLY . 31.8 ptt180 -115.9 164.57 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.435 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 3.0 m-85 61.94 55.02 2.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.742 0.782 . . . . 0.0 110.979 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.74 88.39 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.7 t -42.29 129.97 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -81.18 161.89 43.74 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.576 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 11.9 mt -51.73 -64.33 0.85 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 16.5 mtt -64.69 -44.44 90.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 54.86 38.39 64.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 m -144.26 116.34 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.3 t -54.61 -44.38 73.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 112.88 173.4 18.87 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 164.48 34.32 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.336 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.5 t -100.16 102.74 14.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.801 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.1 t -160.64 122.54 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.471 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 t 47.53 42.05 14.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 m -95.49 -52.23 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.13 150.82 7.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -91.35 86.8 6.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -60.26 -47.05 87.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.02 -77.56 0.73 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -115.47 154.62 28.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.975 0.417 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -44.59 154.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.8 mm -51.04 134.99 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.8 m -118.05 102.9 9.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.7 108.48 19.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.644 HD21 ' HD3' ' A' ' 93' ' ' PRO . 94.3 mt -109.09 -32.98 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -44.43 -42.81 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.481 HG13 ' N ' ' A' ' 16' ' ' TYR . 41.6 pt -40.93 -35.02 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.481 ' N ' HG13 ' A' ' 15' ' ' ILE . 57.8 m-85 -78.72 179.41 7.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -113.74 -32.19 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.479 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 11.2 p-90 -72.35 0.98 8.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.531 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 14.6 t80 -106.3 84.63 2.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.627 ' HB3' HG21 ' A' ' 23' ' ' ILE . 27.3 m-70 -82.72 91.36 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.514 ' HD2' ' CE2' ' A' ' 19' ' ' TYR . 4.4 ptm180 -85.28 -48.33 9.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -76.36 59.83 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' A' ' 44' ' ' ARG . 9.3 pt -147.31 176.41 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' ARG . 10.2 t -130.86 161.53 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.133 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' THR . 11.5 ttp180 -35.29 -47.18 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -59.43 -60.84 3.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -41.08 -52.64 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.659 ' HB2' ' HD2' ' A' ' 44' ' ' ARG . . . -47.23 -63.53 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -57.3 -56.34 23.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' LEU . 83.4 t60 -47.26 -67.4 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' HIS . 52.5 mt -34.62 -43.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.98 -49.34 65.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 30' ' ' HIS . 20.0 mmm-85 -42.02 -54.41 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -48.2 -42.9 31.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 17.5 mm-40 -65.95 -49.19 68.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 p 45.44 54.44 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.587 ' HE3' ' CE2' ' A' ' 112' ' ' TYR . 6.9 ptmt -157.13 108.8 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 37' ' ' LYS . 10.3 tt0 -34.39 117.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.69 -37.84 1.74 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.43 117.21 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 111.083 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.649 ' O ' HG23 ' A' ' 42' ' ' ILE . 3.0 p90 -135.32 160.89 37.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 41' ' ' PHE . 15.9 pt -162.11 153.88 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.432 HG22 HG12 ' A' ' 54' ' ' ILE . 96.0 t -116.66 105.19 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.763 ' HB3' HD11 ' A' ' 23' ' ' ILE . 8.3 ptm180 -108.31 164.74 12.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -95.89 134.78 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 48' ' ' HIS . 1.9 t -66.48 95.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.789 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.5 ttm180 -37.86 -26.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.591 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -72.58 -61.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.591 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 56.7 tp -123.63 166.91 14.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' HG ' ' A' ' 49' ' ' LEU . . . -74.16 43.77 1.28 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.467 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 t -101.44 -177.19 3.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.943 0.401 . . . . 0.0 110.821 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.544 ' CB ' HD12 ' A' ' 73' ' ' ILE . 61.6 m-85 -128.83 153.22 47.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 71' ' ' TYR . 36.4 m -150.79 130.13 12.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.432 HG12 HG22 ' A' ' 43' ' ' VAL . 23.0 mt -92.81 121.99 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 m -105.72 102.5 11.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.504 HG22 ' CB ' ' A' ' 41' ' ' PHE . 25.0 t -103.15 152.4 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.404 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 45.0 t80 -97.75 110.23 22.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.471 ' HG3' ' CE ' ' A' ' 69' ' ' LYS . 4.6 mmt -76.46 -56.94 4.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.716 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . 101.31 112.59 3.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.438 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.71 170.27 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 111.049 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -58.56 -48.22 81.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.2 mmt180 -105.39 142.2 35.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t -52.56 -41.94 64.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.1 t -48.41 -19.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -121.28 157.68 29.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.71 171.05 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.716 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -151.4 126.91 10.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.8 mt -137.08 132.18 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.551 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 11.1 mptt -104.09 158.22 16.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -126.79 106.74 9.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 4.8 m-85 -103.44 108.02 19.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -81.2 123.17 28.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.544 HD12 ' CB ' ' A' ' 52' ' ' TYR . 34.6 mt -78.04 105.91 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -100.17 175.21 5.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.572 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 1.3 ttmp? -124.43 139.26 54.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -92.5 -177.45 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.867 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -55.63 -32.13 62.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.403 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 2.2 m -81.1 16.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.475 ' HA2' ' CD ' ' A' ' 75' ' ' LYS . . . 48.27 39.19 20.43 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.546 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.505 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 28.8 mt-30 -111.99 145.03 40.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.572 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 72.3 m95 -82.57 131.44 35.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.442 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 21.2 p90 -145.53 159.67 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.74 HG23 HD11 ' A' ' 95' ' ' LEU . 85.4 t -127.96 -51.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.224 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.82 5.2 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 2.3 mt-10 56.56 24.98 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -134.06 -32.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -117.92 123.75 46.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -117.15 141.97 47.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 14.2 m-85 -119.09 -177.96 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -103.79 -23.78 13.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.5 m -132.59 148.95 52.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.707 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 13.1 mm -58.79 -48.44 96.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.592 0.711 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.707 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.8 Cg_endo -69.7 0.45 5.58 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.736 2.291 . . . . 0.0 112.393 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -98.61 -37.93 9.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.74 HD11 HG23 ' A' ' 83' ' ' VAL . 1.6 tt -59.76 -37.43 78.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.682 HG23 HD12 ' A' ' 110' ' ' LEU . 12.2 mm -87.65 -15.62 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -56.94 -46.59 81.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -86.2 -49.82 7.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -41.49 -42.58 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -52.66 -39.83 62.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -85.21 -38.2 19.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -151.25 105.25 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.71 ' HB2' ' HA ' ' A' ' 109' ' ' ARG . . . -67.03 81.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.56 80.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 106' ' ' LEU . . . 173.56 38.39 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.541 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 105' ' ' GLY . 13.4 tp 35.15 49.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.967 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 16.9 tpp -148.59 152.87 37.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.6 m -39.81 141.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.71 ' HA ' ' HB2' ' A' ' 103' ' ' ALA . 13.4 ptt180 -98.58 140.05 33.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.682 HD12 HG23 ' A' ' 96' ' ' ILE . 14.1 mt -63.03 116.75 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.461 ' HG3' ' CD1' ' A' ' 112' ' ' TYR . 4.3 ptp180 -122.32 -37.47 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.587 ' CE2' ' HE3' ' A' ' 37' ' ' LYS . 11.7 m-85 -107.79 83.82 1.8 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.766 0.793 . . . . 0.0 110.963 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 79.66 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.642 2.228 . . . . 0.0 112.381 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.457 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 94.8 t -38.05 118.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.18 164.3 54.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.573 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.6 mt -69.15 -62.51 1.35 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 118' ' ' GLY . 2.4 ptt? -35.13 -40.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.447 ' N ' ' HG3' ' A' ' 117' ' ' MET . . . 34.77 -111.49 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.451 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.9 p -174.96 140.93 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.8 m -155.69 172.41 18.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 159.34 92.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 146.42 60.13 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 23.2 m -100.58 -52.96 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.4 p -104.13 177.26 4.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -123.84 139.69 53.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.358 . . . . 0.0 110.9 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.5 p -156.37 146.09 20.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 73.75 41.36 42.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' GLY . 61.1 m 35.92 42.52 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.938 0.399 . . . . 0.0 110.856 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m -47.61 -51.81 20.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.02 -141.18 0.54 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.402 ' C ' ' HD3' ' A' ' 9' ' ' LYS . 9.0 m120 -143.92 164.52 30.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.339 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -147.76 177.55 9.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' LYS . 49.3 mt -36.65 127.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.448 ' O ' HG22 ' A' ' 11' ' ' THR . 8.5 m -125.91 44.07 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -72.14 125.43 27.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.589 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 22.0 mt -102.98 -31.24 10.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -44.63 -45.28 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.524 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 43.4 pt -41.36 -34.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.601 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 19.9 m-85 -81.1 170.46 16.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -106.19 -37.38 6.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.43 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 14.3 p-90 -63.56 -17.01 62.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.589 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 10.1 t80 -84.6 75.97 10.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -66.44 93.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 42.6 ptt85 -92.0 152.77 19.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.9 t30 74.15 41.5 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.2 pt -134.47 177.9 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' ARG . 10.1 t -136.42 163.89 29.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' THR . 56.6 ttp180 -34.28 -55.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -49.55 -55.29 13.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -54.24 -58.72 6.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.2 -58.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.636 ' HA ' HD12 ' A' ' 32' ' ' LEU . 24.1 mt-10 -60.73 -57.13 14.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -41.31 -66.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.3 mt -37.87 -42.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.638 HD11 ' HB3' ' A' ' 55' ' ' SER . 9.5 mt -71.33 -50.71 29.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -50.88 -39.93 55.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -60.0 -47.46 85.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.46 -51.82 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 m 61.81 42.39 10.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.533 ' HE2' ' CG ' ' A' ' 112' ' ' TYR . 5.2 pttm -139.31 110.04 6.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 37' ' ' LYS . 52.5 tt0 -37.5 145.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 40' ' ' ALA . . . 104.0 -50.16 0.89 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . -33.01 116.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 111.08 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 42' ' ' ILE . 8.2 p90 -133.3 161.12 35.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 41' ' ' PHE . 24.9 pt -160.41 153.25 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -116.19 109.55 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.502 HH12 ' CE1' ' A' ' 70' ' ' HIS . 17.4 ptt180 -95.79 166.58 11.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.805 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -100.91 117.09 34.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.797 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.3 m -56.48 129.7 41.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 48' ' ' HIS . 6.7 ppt_? -78.52 -39.57 37.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.4 p80 -57.76 -38.48 75.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.577 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 4.1 tp -156.76 177.09 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.58 44.51 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.543 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 m -96.21 -178.96 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.845 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -138.42 153.39 48.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.922 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.2 m -146.3 132.72 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.8 mt -95.78 126.85 48.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.638 ' HB3' HD11 ' A' ' 32' ' ' LEU . 4.7 m -111.2 97.18 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.577 HG22 ' CB ' ' A' ' 41' ' ' PHE . 37.5 t -97.33 152.87 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.411 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 56.2 t80 -100.46 116.73 33.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.3 mmt -88.04 -59.52 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.463 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . 92.85 136.82 7.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.77 163.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.9 mmt-85 -93.38 -59.87 1.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -131.12 44.75 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 m -156.96 165.97 34.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.814 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 m -83.37 39.25 0.65 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -106.97 -177.18 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.93 171.3 12.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -156.19 136.21 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.5 mt -137.74 132.5 44.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 2.7 mptm? -102.19 160.15 14.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.502 ' CE1' HH12 ' A' ' 44' ' ' ARG . 95.9 m-70 -132.49 105.78 7.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 4.5 m-85 -104.21 103.95 13.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -78.09 112.29 14.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.497 HG12 HG22 ' A' ' 83' ' ' VAL . 33.1 mt -74.34 107.27 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -96.45 175.58 6.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -128.21 145.75 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.475 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -100.73 -175.66 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -31.9 66.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.414 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 3.0 m -81.3 19.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 46.19 41.06 10.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.481 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 30.8 mt-30 -113.37 135.55 53.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -81.91 131.63 35.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 20.3 p90 -144.18 149.92 37.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.72 HG23 HD11 ' A' ' 95' ' ' LEU . 98.2 t -112.84 -52.29 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.211 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.15 17.95 2.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 14.5 tt0 43.39 27.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -130.89 -30.85 1.77 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -121.27 108.68 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -99.24 135.7 40.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 80.8 m-85 -111.79 -174.97 2.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.795 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -105.69 -28.11 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 m -136.04 152.49 50.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.71 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.6 mm -58.71 -48.25 97.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.66 0.743 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.71 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.1 Cg_endo -69.73 -2.84 10.85 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.268 . . . . 0.0 112.344 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -94.64 -40.46 9.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.72 HD11 HG23 ' A' ' 83' ' ' VAL . 2.9 tt -58.09 -37.55 74.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.566 HD13 HD23 ' A' ' 95' ' ' LEU . 11.6 mm -85.5 -19.71 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.416 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.5 t-105 -53.62 -48.05 69.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -83.4 -49.23 9.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -37.86 -36.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.846 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -57.3 -62.12 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -65.36 -49.65 68.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -124.54 116.82 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.6 114.7 3.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.444 ' HB3' ' CE1' ' A' ' 99' ' ' HIS . . . -120.26 75.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 106' ' ' LEU . . . 133.94 -90.85 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.715 HD23 ' H ' ' A' ' 106' ' ' LEU . 0.8 OUTLIER -36.86 156.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 64.3 mtm -86.74 36.83 0.72 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.504 ' O ' ' CD1' ' A' ' 106' ' ' LEU . 11.1 t -175.71 155.73 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 110' ' ' LEU . 16.3 ttp180 -100.41 104.75 16.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.551 HD13 ' CZ ' ' A' ' 41' ' ' PHE . 24.8 mt -33.48 116.89 0.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.409 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 0.1 OUTLIER -107.21 -56.58 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.533 ' CG ' ' HE2' ' A' ' 37' ' ' LYS . 11.8 m-85 -103.15 95.47 6.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.651 0.739 . . . . 0.0 110.915 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 112' ' ' TYR . 54.0 Cg_endo -69.71 79.58 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.61 2.207 . . . . 0.0 112.384 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.424 HG21 ' HB1' ' A' ' 40' ' ' ALA . 96.3 t -49.01 113.95 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -106.57 169.47 15.36 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 115' ' ' GLY . 11.0 mp -33.67 -54.21 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 11.4 ptt? -51.33 89.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 116' ' ' LEU . . . -132.9 -75.54 0.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.547 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.6 t -173.05 179.24 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.3 t -133.45 -62.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 56.1 84.08 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 152.64 69.2 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.247 . . . . 0.0 112.314 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.7 t -119.93 42.44 2.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.4 m -58.7 133.97 56.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m -140.81 119.35 12.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.838 0.352 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -97.94 169.03 9.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.93 123.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 m -91.49 -43.86 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.854 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -100.26 153.55 19.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.42 50.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -123.07 82.5 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.917 0.389 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -130.47 177.5 7.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.2 mt -58.72 150.71 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.2 p -107.58 87.08 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -94.6 110.14 21.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 21.3 mt -108.84 -29.81 8.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -49.33 -37.62 25.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 16' ' ' TYR . 12.2 pt -53.41 -29.75 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.486 ' N ' HG13 ' A' ' 15' ' ' ILE . 61.5 m-85 -83.79 -179.95 7.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -113.22 -36.23 5.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 11.5 p-90 -67.89 -2.98 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 19.8 t80 -97.87 84.05 3.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -78.49 97.89 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.801 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 12.3 ptm180 -104.84 160.05 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.8 t30 64.97 43.27 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.414 HD11 ' HB3' ' A' ' 44' ' ' ARG . 14.9 pt -126.48 178.42 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -128.22 159.55 34.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -38.77 -42.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -60.87 -46.1 91.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -59.09 -55.1 39.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.14 -61.54 1.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -63.05 -58.39 7.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -39.41 -58.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.2 mt -44.32 -54.32 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.39 -50.26 74.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -41.85 -44.71 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -59.23 -46.14 89.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -40.91 91.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.402 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 71.3 m 45.01 44.31 8.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.816 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.588 ' HE3' ' CE2' ' A' ' 112' ' ' TYR . 1.9 ptmt -150.47 146.16 26.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -65.21 139.39 58.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.53 -44.67 1.43 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.22 119.6 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.492 ' O ' HG23 ' A' ' 42' ' ' ILE . 4.4 p90 -144.9 159.64 42.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 41' ' ' PHE . 12.0 pt -157.41 165.02 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.48 HG22 HG12 ' A' ' 54' ' ' ILE . 87.8 t -123.18 113.52 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.414 ' HB3' HD11 ' A' ' 23' ' ' ILE . 31.5 ptt180 -108.98 159.55 16.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.98 138.95 30.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' LEU . 74.5 m -74.44 134.75 42.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -79.18 -42.77 25.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.3 p80 -55.78 -36.69 67.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.517 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 7.2 tp -158.45 176.89 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.42 47.05 1.68 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.471 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 t -99.79 -177.75 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.965 0.412 . . . . 0.0 110.802 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CB ' HD12 ' A' ' 73' ' ' ILE . 93.1 m-85 -133.49 147.1 51.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.1 m -142.52 128.11 19.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.48 HG12 HG22 ' A' ' 43' ' ' VAL . 18.3 mt -93.26 146.98 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.6 m -129.35 106.89 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.799 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.496 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 18.4 t -103.99 157.36 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.719 ' HE1' ' HB1' ' A' ' 66' ' ' ALA . 72.1 t80 -103.15 107.57 18.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.4 mmt -74.61 -56.39 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.488 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . 95.99 106.66 2.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.82 160.84 19.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -79.08 -53.05 7.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.0 mtt-85 -49.61 169.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.5 t -89.14 146.31 24.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 64' ' ' THR . 6.7 m 65.03 38.56 6.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.138 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -135.69 163.49 30.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.82 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.719 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . -150.55 143.38 24.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.488 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -122.23 130.21 52.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.5 mt -133.93 129.79 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -101.46 169.6 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -141.04 105.46 4.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.477 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 10.7 m-85 -98.86 117.55 33.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -87.42 111.74 21.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.484 HD12 ' CB ' ' A' ' 52' ' ' TYR . 55.1 mt -68.73 105.81 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -97.87 174.14 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.528 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 14.7 ttmt -128.29 131.52 48.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 76' ' ' ASN . 40.5 p30 -77.75 179.19 6.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.48 -33.49 69.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -72.82 -11.96 60.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.17 35.28 21.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -107.63 139.81 41.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.528 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 79.8 m95 -79.87 123.16 27.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 p90 -144.34 148.46 34.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.954 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.596 HG23 HD11 ' A' ' 95' ' ' LEU . 84.2 t -118.25 -51.48 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 86' ' ' ARG . . . -83.17 23.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 84' ' ' ALA . 1.1 pp20? 33.11 32.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 84' ' ' ALA . 17.7 mmt180 -134.06 -26.62 1.49 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -131.5 108.36 9.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -98.53 140.56 32.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.533 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 32.6 m-85 -121.37 -178.85 3.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -106.47 -24.82 12.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.1 m -130.6 149.24 52.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.713 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.6 mm -59.34 -48.04 96.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 111.192 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.713 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.76 1.48 4.4 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.692 2.262 . . . . 0.0 112.398 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 7.0 mm-40 -99.61 -40.22 7.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -57.66 -34.94 69.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.4 mm -86.86 -19.87 7.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.412 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.8 t-105 -53.93 -41.1 67.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -90.37 -44.57 9.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.462 ' CE1' ' H ' ' A' ' 105' ' ' GLY . 2.1 t-80 -43.32 -36.69 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.849 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -66.08 -51.65 56.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -63.3 -40.56 97.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -135.41 141.94 45.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.926 ' HB2' ' HB2' ' A' ' 109' ' ' ARG . . . -69.44 97.45 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.67 -40.17 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.462 ' H ' ' CE1' ' A' ' 99' ' ' HIS . . . -63.5 -77.46 0.22 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 108' ' ' THR . 6.8 tp -138.64 174.03 10.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 108' ' ' THR . 5.2 ptm -33.82 -33.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 106' ' ' LEU . 14.7 m -79.73 131.41 35.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.926 ' HB2' ' HB2' ' A' ' 103' ' ' ALA . 37.0 ttp85 -110.4 124.57 51.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 12.6 mt -50.35 101.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -116.43 -30.01 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.588 ' CE2' ' HE3' ' A' ' 37' ' ' LYS . 23.3 m-85 -111.76 82.9 4.2 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.701 0.762 . . . . 0.0 110.855 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 79.68 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.613 2.209 . . . . 0.0 112.409 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.413 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 41.2 t -42.53 105.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.88 163.67 50.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.531 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.6 mt -51.0 -61.9 1.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.738 0.304 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 5.2 ptp -51.78 -56.28 14.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 77.94 -57.83 3.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 t -138.12 108.81 6.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.836 0.351 . . . . 0.0 110.816 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 t -173.25 150.75 1.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -139.94 118.5 1.48 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 157.77 59.16 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.731 2.287 . . . . 0.0 112.313 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 34.1 p -101.79 -53.42 2.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.5 m -98.17 161.02 13.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.551 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -39.45 149.78 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 m -60.31 88.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.09 158.66 1.65 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.443 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 m -143.95 170.61 15.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.887 0.375 . . . . 0.0 110.822 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -121.59 117.29 26.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.62 -148.82 18.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.567 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -40.03 150.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.895 0.379 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 10' ' ' ILE . 8.3 mtmp? -142.62 132.99 24.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' LYS . 33.6 mm -37.33 132.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.4 m -123.49 86.27 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -86.86 117.33 25.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 86.7 mt -115.6 -35.78 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.491 ' OE2' ' CZ ' ' A' ' 21' ' ' ARG . 4.0 mt-10 -49.66 -39.96 38.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 16' ' ' TYR . 31.9 pt -49.57 -32.81 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.473 ' N ' HG13 ' A' ' 15' ' ' ILE . 43.8 m-85 -79.77 179.39 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -113.55 -38.89 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.7 p-90 -65.01 -5.53 6.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 27.4 t80 -97.17 82.5 3.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 19.4 m-70 -79.75 87.1 5.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 11.4 ptt180 -89.42 165.45 14.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.8 t30 62.46 40.92 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.793 HD11 ' HE ' ' A' ' 44' ' ' ARG . 15.2 pt -128.86 174.62 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.137 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.1 p -119.2 179.0 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -37.36 76.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -68.55 -41.43 79.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -57.78 -54.72 43.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.34 -64.52 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -54.74 -56.16 22.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -42.65 -64.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.1 mt -39.98 -46.15 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD21 HG12 ' A' ' 42' ' ' ILE . 51.0 mt -64.73 -56.98 10.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' LEU . 52.4 mmm-85 -36.9 -49.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.821 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -52.16 -43.84 64.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LEU . 3.2 mm-40 -68.98 -51.89 34.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 89.2 p 52.29 54.79 10.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HG2' ' HB3' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -157.62 125.37 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -41.12 144.42 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 41' ' ' PHE . . . 108.61 -46.96 1.09 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.48 96.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.633 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -123.71 132.02 53.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.708 ' O ' HG23 ' A' ' 54' ' ' ILE . 1.1 pt -127.83 165.12 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.944 HG22 HG12 ' A' ' 54' ' ' ILE . 22.8 t -140.55 133.19 32.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.053 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.793 ' HE ' HD11 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -138.52 174.93 10.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.19 138.2 31.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' HIS . 2.0 m -88.11 74.47 8.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 5.9 mmm180 -35.05 -31.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -56.19 -53.94 51.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.577 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.2 tp -137.25 173.61 11.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.59 46.22 1.64 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.469 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.7 m -125.65 -176.96 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.811 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -132.48 167.07 20.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.4 m -147.26 139.52 24.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.944 HG12 HG22 ' A' ' 43' ' ' VAL . 32.2 mt -117.45 133.86 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -110.13 112.8 25.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG22 ' CB ' ' A' ' 41' ' ' PHE . 17.2 t -111.42 132.25 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 53.8 t80 -80.43 112.23 17.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.9 mmt -82.67 -46.16 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.413 ' N ' ' HB3' ' A' ' 67' ' ' ALA . . . 87.69 110.92 1.0 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.481 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . -68.76 131.79 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.741 0.305 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -100.24 -59.05 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -39.12 -44.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.815 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 t -127.59 170.57 12.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 64' ' ' THR . 19.6 m -83.16 35.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 60' ' ' ALA . 38.3 mt-10 -95.11 -177.27 4.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.07 134.47 54.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.046 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' HB3' ' N ' ' A' ' 59' ' ' GLY . . . -116.43 122.84 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 30.8 mt -133.08 125.77 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -102.27 155.93 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -125.02 105.93 9.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -93.92 115.37 27.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -89.46 124.25 34.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 54' ' ' ILE . 31.2 mt -86.69 104.92 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -95.99 174.15 7.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.479 ' CD ' ' HA2' ' A' ' 79' ' ' GLY . 1.1 ttmp? -124.36 138.6 54.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.556 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -91.27 -176.89 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -55.83 -33.4 64.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.13 12.25 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.479 ' HA2' ' CD ' ' A' ' 75' ' ' LYS . . . 53.54 36.61 54.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.556 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 47.6 mt-30 -108.61 142.42 39.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.42 ' CZ2' ' HE3' ' A' ' 75' ' ' LYS . 76.3 m95 -79.93 138.62 37.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 4.6 p90 -154.45 145.01 22.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.515 HG23 HD11 ' A' ' 95' ' ' LEU . 67.6 t -110.92 -48.01 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.5 4.41 24.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.519 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 15.6 tt0 55.66 25.07 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -131.17 -32.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -122.14 108.49 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -98.75 145.64 26.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 41.6 m-85 -121.05 -174.89 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -107.39 -23.36 12.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 m -135.78 149.69 49.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.707 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 13.7 mm -58.45 -48.56 96.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.682 0.753 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.707 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.2 Cg_endo -69.7 -3.34 11.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.727 2.285 . . . . 0.0 112.383 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 13.8 mm-40 -94.0 -39.57 10.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.515 HD11 HG23 ' A' ' 83' ' ' VAL . 1.5 tt -58.79 -35.39 72.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.526 HG22 ' HG2' ' A' ' 100' ' ' GLN . 7.6 mm -88.2 -14.93 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.409 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.9 t-105 -58.99 -43.59 91.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -91.88 -53.63 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.675 ' CE1' ' HB3' ' A' ' 104' ' ' ALA . 12.2 m170 -45.37 -26.68 0.57 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.526 ' HG2' HG22 ' A' ' 96' ' ' ILE . 5.4 mm-40 -52.73 -37.92 59.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -107.99 -47.78 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.452 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 7.3 m120 -64.67 -40.28 95.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.572 ' HB2' ' HA ' ' A' ' 109' ' ' ARG . . . 69.6 34.16 2.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.675 ' HB3' ' CE1' ' A' ' 99' ' ' HIS . . . -53.25 130.56 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.516 ' C ' HD12 ' A' ' 106' ' ' LEU . . . 115.1 -39.7 2.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.428 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.516 HD12 ' C ' ' A' ' 105' ' ' GLY . 5.6 mp -147.81 173.52 12.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -41.8 63.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.9 m -67.09 136.82 55.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.572 ' HA ' ' HB2' ' A' ' 103' ' ' ALA . 26.4 ptt180 -96.29 132.27 41.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 65.4 mt -54.99 102.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -132.88 178.06 7.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.43 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 5.9 m-85 45.36 55.03 14.23 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.734 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 54.6 Cg_endo -69.72 90.05 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.698 2.266 . . . . 0.0 112.312 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 113' ' ' PRO . 79.1 t -35.31 130.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.0 165.65 49.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.525 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 117' ' ' MET . 12.5 mt -59.82 -60.78 3.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 116' ' ' LEU . 56.9 mtm -34.46 -44.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 117' ' ' MET . . . 35.07 -119.35 0.35 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.9 t -148.91 143.45 26.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.899 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.3 p -83.22 178.24 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -163.93 164.48 36.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 134.4 27.83 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 25.7 t -101.55 -58.91 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.1 m -118.18 109.42 16.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.531 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -109.99 -53.98 2.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 m -141.53 137.58 32.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.88 94.75 2.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.482 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -86.92 -47.8 8.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.906 0.384 . . . . 0.0 110.899 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.1 p -164.18 137.75 5.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.91 125.67 0.85 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -151.13 170.63 18.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -106.96 38.74 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mm -66.23 -40.62 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.7 m -81.14 137.86 35.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -103.12 121.31 42.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.594 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 70.4 mt -127.31 -30.25 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -47.7 -41.55 22.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 16' ' ' TYR . 19.5 pt -48.02 -30.36 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 56.2 m-85 -80.76 173.93 12.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -109.36 -31.01 7.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.0 p-90 -75.68 4.02 8.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 22.1 t80 -107.45 78.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 43' ' ' VAL . 49.8 m-70 -76.78 91.62 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 11.7 ptt180 -95.32 156.54 16.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.829 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.55 43.77 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.567 HD11 ' HE ' ' A' ' 44' ' ' ARG . 5.1 pt -134.31 -179.48 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -136.21 168.4 19.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -38.82 -57.61 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.816 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -48.6 -48.84 38.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -62.11 -54.53 39.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.09 -64.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HG2' HD13 ' A' ' 68' ' ' ILE . 12.2 mt-10 -55.34 -51.27 67.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 31' ' ' LEU . 4.1 t-80 -48.64 -66.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.832 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 30' ' ' HIS . 61.8 mt -36.62 -40.66 0.27 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.419 HD22 ' O ' ' A' ' 40' ' ' ALA . 62.2 mt -72.65 -52.39 15.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -41.71 -41.15 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.54 -43.55 79.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.666 ' OE1' ' HB2' ' A' ' 40' ' ' ALA . 9.7 mt-10 -68.64 -48.94 62.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.573 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 18.2 p 49.69 54.85 10.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.542 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 9.5 ptpt -161.06 118.56 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' LYS . 20.2 tt0 -33.34 136.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 111' ' ' ARG . . . 112.37 -42.41 1.96 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.666 ' HB2' ' OE1' ' A' ' 35' ' ' GLU . . . -44.36 99.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.074 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.841 ' CG ' HD22 ' A' ' 110' ' ' LEU . 2.1 p90 -126.41 163.87 22.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.591 ' O ' HG23 ' A' ' 54' ' ' ILE . 22.0 pt -158.48 167.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.015 HG22 HG12 ' A' ' 54' ' ' ILE . 58.4 t -135.51 138.51 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.567 ' HE ' HD11 ' A' ' 23' ' ' ILE . 1.5 ptp85 -144.02 174.91 10.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.55 134.69 38.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.8 m -64.88 151.2 46.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -95.89 -40.8 9.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.528 ' NE2' HD12 ' A' ' 49' ' ' LEU . 4.3 p-80 -57.22 -42.41 81.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.528 HD12 ' NE2' ' A' ' 48' ' ' HIS . 37.2 mt -150.34 -175.11 4.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.61 40.53 2.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.539 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.8 t -99.27 -177.28 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.582 ' HB3' HD12 ' A' ' 73' ' ' ILE . 83.9 m-85 -131.11 158.18 41.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.98 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.543 HG22 HH12 ' A' ' 44' ' ' ARG . 94.5 m -146.57 139.96 25.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.178 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 1.015 HG12 HG22 ' A' ' 43' ' ' VAL . 51.4 mt -118.5 128.9 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.189 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.472 ' N ' HH22 ' A' ' 44' ' ' ARG . 38.8 m -107.23 114.4 28.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.512 HG22 ' HB2' ' A' ' 41' ' ' PHE . 20.0 t -108.22 136.67 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 36' ' ' SER . 39.0 t80 -87.6 116.38 25.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.59 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 2.7 mmt -72.81 -59.01 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.25 134.92 5.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.91 85.97 7.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.786 0.326 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 63' ' ' SER . 5.8 mmp_? -84.9 76.28 10.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 38.73 26.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 61' ' ' ARG . 2.4 m -121.23 -60.64 1.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 65' ' ' GLU . 63.8 p -139.29 135.5 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 66' ' ' ALA . 0.5 OUTLIER -41.69 164.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.823 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.483 ' C ' ' O ' ' A' ' 65' ' ' GLU . . . -29.81 117.42 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.59 ' HB3' ' HB2' ' A' ' 58' ' ' MET . . . -104.34 135.35 45.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.404 HD13 ' HG2' ' A' ' 29' ' ' GLU . 29.4 mt -137.51 126.63 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.24 163.73 12.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -133.93 104.63 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -97.7 114.69 26.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -83.76 134.32 34.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.582 HD12 ' HB3' ' A' ' 52' ' ' TYR . 21.3 mt -95.17 113.26 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -106.29 170.03 8.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.529 ' HE2' ' CZ2' ' A' ' 81' ' ' TRP . 23.6 ttmt -115.8 138.64 50.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 76' ' ' ASN . 18.1 p-10 -84.33 -177.27 6.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -62.48 -35.13 78.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.794 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -84.74 18.44 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.7 53.61 42.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.633 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 47.4 mt-30 -122.12 134.97 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.955 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.529 ' CZ2' ' HE2' ' A' ' 75' ' ' LYS . 80.7 m95 -79.82 132.07 36.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 13.4 p90 -151.51 149.15 28.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.557 HG23 HD11 ' A' ' 95' ' ' LEU . 64.8 t -116.2 -50.57 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.076 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.8 -1.2 26.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.2 mt-10 59.21 24.96 13.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -130.76 -31.73 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 25.8 m80 -122.79 103.08 8.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.633 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -91.52 143.45 26.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 62.0 m-85 -119.74 -176.27 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -109.0 -23.09 11.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -136.62 150.87 48.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.8 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.702 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.8 mm -58.85 -48.72 96.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.679 0.752 . . . . 0.0 111.182 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.702 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.9 Cg_endo -69.78 1.21 4.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.258 . . . . 0.0 112.347 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -100.11 -37.5 8.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.557 HD11 HG23 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -60.49 -36.58 78.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.487 HG23 ' CD1' ' A' ' 110' ' ' LEU . 12.2 mm -88.15 -13.68 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -59.08 -41.1 87.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -90.89 -51.01 5.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -37.74 -47.29 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.41 ' HG3' HG22 ' A' ' 96' ' ' ILE . 52.9 mt-30 -49.57 -50.07 43.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -67.44 -49.22 64.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -141.23 117.94 11.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.71 92.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.101 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.06 107.25 4.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.21 -43.95 2.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.438 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 106' ' ' LEU . 4.5 mp -81.24 149.25 29.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 40.2 ttm -74.04 -63.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.5 m -75.85 133.1 40.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -104.52 138.31 41.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.762 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.841 HD22 ' CG ' ' A' ' 41' ' ' PHE . 28.2 mt -53.82 114.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.473 ' CG ' ' HA3' ' A' ' 39' ' ' GLY . 9.4 ptp180 -120.05 -42.49 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.542 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 3.5 m-85 -107.77 83.53 1.69 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.66 0.743 . . . . 0.0 110.927 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 80.51 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.278 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.576 HG22 ' CD ' ' A' ' 35' ' ' GLU . 72.7 t -45.73 107.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.52 171.59 30.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.7 mp -54.51 -62.57 1.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -50.79 -52.66 38.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 60.36 -106.68 1.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.544 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.9 m -109.7 112.72 24.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.921 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.3 t -96.32 -45.8 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 121.26 -175.24 16.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.539 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 115.32 4.04 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.634 2.223 . . . . 0.0 112.35 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 58.8 m -96.74 175.53 6.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.6 t -171.84 145.21 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -81.6 -45.14 16.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.382 . . . . 0.0 110.868 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -102.21 98.95 9.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.81 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.65 -61.4 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.432 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.9 p -142.41 119.29 11.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.817 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -131.93 -44.53 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.31 -162.29 30.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.416 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -112.97 -55.19 2.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.976 0.417 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -75.5 84.27 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 11' ' ' THR . 38.2 mm -60.51 152.02 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 10' ' ' ILE . 32.6 m -108.06 130.87 55.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -104.09 120.6 41.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.498 HD21 ' HD3' ' A' ' 93' ' ' PRO . 92.5 mt -125.29 -34.11 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.962 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -45.21 -39.84 6.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.471 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 35.9 pt -46.35 -35.49 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 19.6 m-85 -79.64 175.0 11.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -107.84 -44.27 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.45 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 18.4 p-90 -56.34 -20.34 18.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 9.5 t80 -81.62 76.42 8.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.464 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 8.1 m-70 -73.23 108.17 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -107.35 154.06 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.5 t30 75.0 44.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.0 pt -137.34 178.48 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' ARG . 14.8 t -137.14 166.82 22.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' THR . 14.7 ttt-85 -35.89 -57.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -48.62 -52.74 21.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.417 ' HG2' HG22 ' A' ' 24' ' ' THR . 17.7 mm100 -56.61 -56.13 25.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.97 -64.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.92 -43.98 73.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 31' ' ' LEU . 7.6 t60 -54.6 -66.06 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' HIS . 98.4 mt -35.9 -44.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.7 -53.87 19.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.8 mmm-85 -40.33 -45.68 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -56.24 -45.86 79.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.78 -44.26 77.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.585 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 24.6 p 49.24 42.59 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.624 ' CE ' ' CE2' ' A' ' 112' ' ' TYR . 0.3 OUTLIER -134.9 124.79 25.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -50.37 134.5 23.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.02 -44.4 1.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.29 121.51 1.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 14.2 p90 -140.69 155.92 46.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.0 pt -146.97 163.13 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.93 HG22 HG12 ' A' ' 54' ' ' ILE . 89.8 t -134.16 120.86 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.093 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.611 HH12 HG22 ' A' ' 53' ' ' THR . 1.9 ptp85 -120.37 174.91 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -98.03 128.18 44.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.7 m -84.43 72.31 10.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' SER . 38.0 mmt180 -35.43 -36.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -46.89 -56.35 6.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.646 HD23 ' H ' ' A' ' 50' ' ' GLY . 0.7 OUTLIER -136.5 171.97 13.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.646 ' H ' HD23 ' A' ' 49' ' ' LEU . . . -74.16 48.25 1.73 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.2 m -126.9 -177.27 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -132.41 171.93 13.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.611 HG22 HH12 ' A' ' 44' ' ' ARG . 91.1 m -150.4 144.29 25.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.93 HG12 HG22 ' A' ' 43' ' ' VAL . 28.9 mt -125.31 122.83 63.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.454 ' N ' HH22 ' A' ' 44' ' ' ARG . 44.0 m -102.79 111.84 24.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.9 t -104.45 139.3 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.585 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 41.1 t80 -87.43 112.31 22.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.5 mmt -80.88 -49.45 11.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 60' ' ' ALA . . . 118.9 118.4 2.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 59' ' ' GLY . . . -33.01 120.6 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 111.164 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 -81.41 42.92 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 37.96 35.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.0 t -118.61 -61.04 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.61 HG22 ' HG2' ' A' ' 65' ' ' GLU . 16.6 m -123.86 -66.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.152 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.61 ' HG2' HG22 ' A' ' 64' ' ' THR . 2.0 pt-20 -161.36 -179.16 7.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.565 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . -39.47 153.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.09 126.73 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.1 mt -135.74 127.49 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 2.6 mptm? -101.5 161.3 13.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -126.24 104.72 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 5.0 m-85 -101.86 107.17 18.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -83.79 125.39 31.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.92 HD11 HD11 ' A' ' 54' ' ' ILE . 31.4 mt -86.13 107.23 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.467 ' NZ ' ' CE1' ' A' ' 82' ' ' TYR . 3.1 mtmp? -101.07 -176.09 3.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.982 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -127.61 146.26 50.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -101.74 -174.74 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -56.91 -33.04 66.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.0 16.01 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 49.41 40.55 31.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 69.3 mt-30 -114.79 143.0 45.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.895 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -80.25 138.4 36.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 46.9 p90 -154.79 161.03 41.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 90.3 t -126.39 -48.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.437 ' HB2' ' HA3' ' A' ' 105' ' ' GLY . . . -78.0 -5.68 52.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 mt-10 66.91 25.0 9.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -134.85 -33.45 0.94 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -115.58 111.74 21.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -106.24 141.07 38.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.075 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 50.9 m-85 -115.32 -174.66 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -103.33 -29.05 11.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.428 ' HB2' ' CD ' ' A' ' 94' ' ' GLU . 3.5 m -134.76 153.32 52.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.714 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.5 mm -60.09 -48.04 95.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.714 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.74 -6.33 18.32 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.428 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.1 OUTLIER -92.64 -34.44 13.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.582 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.8 tt -61.95 -40.53 95.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.486 HG22 ' HG3' ' A' ' 100' ' ' GLN . 6.4 mm -84.65 -14.2 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -57.76 -45.0 86.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 99' ' ' HIS . 7.7 m-85 -89.86 -50.51 6.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.441 ' CE1' ' HB3' ' A' ' 104' ' ' ALA . 11.9 m80 -38.17 -44.29 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.486 ' HG3' HG22 ' A' ' 96' ' ' ILE . 67.7 mt-30 -52.0 -49.22 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -67.05 -45.37 77.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -141.57 128.24 20.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.649 ' HB2' ' HB3' ' A' ' 109' ' ' ARG . . . -62.6 116.3 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.441 ' HB3' ' CE1' ' A' ' 99' ' ' HIS . . . -116.25 76.74 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.437 ' HA3' ' HB2' ' A' ' 84' ' ' ALA . . . 144.12 -48.4 0.74 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -111.16 156.5 21.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.322 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 8.4 tpt -57.8 -69.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.8 m -65.14 143.99 57.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.649 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 7.8 ptt-85 -113.06 150.66 31.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 11.2 mt -61.86 127.21 30.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.408 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 70.8 mtt180 -124.87 -47.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.624 ' CE2' ' CE ' ' A' ' 37' ' ' LYS . 73.9 m-85 -105.09 91.81 4.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.683 0.754 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.73 79.36 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 0.0 112.351 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 63.8 t -40.92 118.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -90.26 163.28 30.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.464 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.2 mt -61.96 -59.95 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.902 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 116' ' ' LEU . 11.8 mmt -34.34 -47.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 46.68 -147.11 3.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.7 p -109.45 -45.86 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.829 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.7 m -49.0 162.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.858 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -160.15 94.77 0.13 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 123' ' ' SER . 53.6 Cg_endo -69.75 -29.69 23.51 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.736 2.291 . . . . 0.0 112.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 122' ' ' PRO . 3.5 t -35.46 124.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 t -64.43 130.67 44.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.502 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -148.56 157.9 43.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.826 0.346 . . . . 0.0 110.833 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -113.54 -61.23 1.77 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.73 -158.91 22.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t 53.46 42.14 32.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.879 0.371 . . . . 0.0 110.928 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -111.14 145.5 38.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.12 91.69 0.37 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -99.71 129.11 45.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -72.9 151.2 42.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.8 mt -59.04 135.54 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 m -131.97 83.55 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.93 109.21 11.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 27.0 mt -109.32 -29.82 8.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -48.5 -41.51 30.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 16' ' ' TYR . 16.1 pt -47.94 -27.88 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 55.3 m-85 -85.03 178.23 7.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -113.24 -35.6 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.408 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 11.2 p-90 -70.58 -0.3 8.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 13.8 t80 -100.73 80.27 2.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.474 ' NE2' HG12 ' A' ' 114' ' ' VAL . 45.5 m-70 -74.48 98.29 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 24.6 ptt180 -101.22 154.76 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 72.26 43.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 44' ' ' ARG . 16.6 pt -130.69 176.63 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.546 HG22 ' HG2' ' A' ' 27' ' ' GLN . 13.4 t -131.02 164.13 26.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.0 tpp180 -34.66 -59.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -47.41 -51.13 20.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.546 ' HG2' HG22 ' A' ' 24' ' ' THR . 13.0 mm100 -54.43 -57.31 11.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.57 -60.16 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HA ' HD12 ' A' ' 32' ' ' LEU . 20.5 mt-10 -61.03 -59.69 4.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' ARG . 68.7 t60 -42.96 -64.86 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.789 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' HIS . 19.9 mt -35.95 -40.75 0.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 55' ' ' SER . 6.7 mt -76.29 -43.85 39.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' HIS . 21.3 mmt85 -52.94 -39.73 63.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -55.51 -46.44 76.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -66.13 -51.14 60.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.9 m 61.35 51.2 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.38 148.64 32.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -71.49 117.03 12.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.995 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.88 -38.3 1.92 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.24 112.66 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.339 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.474 ' CB ' HG22 ' A' ' 56' ' ' VAL . 4.3 p90 -132.88 159.3 40.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.472 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 21.4 pt -156.73 161.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.1 t -125.17 108.23 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.677 ' HB3' HD11 ' A' ' 23' ' ' ILE . 20.5 ptt85 -103.65 169.35 8.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -99.2 135.28 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 m -72.94 139.8 47.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -83.81 -46.42 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -52.23 -29.43 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.51 ' HG ' ' N ' ' A' ' 50' ' ' GLY . 54.3 tp -165.16 171.07 14.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.51 ' N ' ' HG ' ' A' ' 49' ' ' LEU . . . -72.48 47.04 1.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -98.72 -177.1 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.948 0.404 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.611 ' HB3' HD12 ' A' ' 73' ' ' ILE . 98.1 m-85 -134.03 156.99 47.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.512 HG23 ' HA ' ' A' ' 72' ' ' GLN . 28.2 m -151.74 134.96 15.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.541 HD11 HD11 ' A' ' 96' ' ' ILE . 24.2 mt -97.25 138.56 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.526 ' HB3' HD11 ' A' ' 32' ' ' LEU . 27.3 m -121.3 101.64 7.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.798 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.475 HG11 ' CG2' ' A' ' 108' ' ' THR . 29.8 t -101.33 150.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.526 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 65.8 t80 -97.09 108.86 21.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.436 ' CE ' ' HB2' ' A' ' 107' ' ' MET . 6.1 mmt -78.03 -68.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.752 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . 117.23 123.94 3.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.07 175.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.737 0.303 . . . . 0.0 111.164 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 62' ' ' ARG . 22.2 mmt180 -76.73 81.19 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' ARG . 7.6 tpp180 35.85 49.66 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.1 p -133.26 -177.97 4.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 64' ' ' THR . 6.8 m -79.82 42.15 0.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.112 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -134.66 178.76 6.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . -136.8 152.8 50.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.752 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -130.9 129.74 42.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.5 mt -131.13 133.12 63.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.412 ' HD3' ' CG ' ' A' ' 58' ' ' MET . 12.4 mptt -101.93 158.12 16.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -130.74 104.77 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.495 ' CE2' HD22 ' A' ' 106' ' ' LEU . 8.2 m-85 -100.21 98.15 8.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.512 ' HA ' HG23 ' A' ' 53' ' ' THR . 17.6 tt0 -71.78 112.35 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' A' ' 52' ' ' TYR . 21.9 mt -70.29 110.73 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -101.73 172.53 6.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.584 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 24.8 ttmt -126.31 138.12 53.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 79' ' ' GLY . 47.3 p30 -79.7 -177.7 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.53 -33.28 75.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 m -71.23 -17.82 62.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . 93.56 30.82 8.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.474 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 23.6 mt-30 -106.12 142.59 35.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.584 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 71.1 m95 -79.88 133.77 36.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.543 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 3.9 p90 -151.93 158.67 43.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.668 HG23 HD11 ' A' ' 95' ' ' LEU . 62.3 t -121.43 -49.57 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.228 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.82 6.36 15.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.543 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 18.4 tt0 54.06 25.21 5.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -131.9 -32.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -117.93 105.42 11.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.474 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -96.26 146.29 24.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.578 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 91.7 m-85 -118.72 -175.44 2.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -106.76 -24.69 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.43 ' HB2' ' CD ' ' A' ' 94' ' ' GLU . 1.9 m -139.46 152.79 47.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.694 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 5.3 mm -60.33 -49.01 92.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.579 0.704 . . . . 0.0 111.158 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.694 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 52.8 Cg_endo -69.76 -4.79 14.74 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.729 2.286 . . . . 0.0 112.298 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.43 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.1 OUTLIER -94.91 -34.74 12.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.668 HD11 HG23 ' A' ' 83' ' ' VAL . 1.3 tt -60.94 -35.93 78.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.541 HD11 HD11 ' A' ' 54' ' ' ILE . 11.6 mm -86.72 -13.04 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.148 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.414 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.4 t-105 -61.29 -36.91 81.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.747 ' CD2' ' ND2' ' A' ' 102' ' ' ASN . 1.5 t80 -92.05 -47.28 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -41.02 -34.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -53.22 -56.97 12.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -70.52 -55.06 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.747 ' ND2' ' CD2' ' A' ' 98' ' ' TYR . 0.5 OUTLIER -124.68 121.74 35.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.57 74.61 6.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.8 79.94 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 132.3 -53.78 0.79 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.495 HD22 ' CE2' ' A' ' 71' ' ' TYR . 14.9 mt -59.88 -173.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.436 ' HB2' ' CE ' ' A' ' 58' ' ' MET . 19.6 mtm -106.1 -41.6 5.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.475 ' CG2' HG11 ' A' ' 56' ' ' VAL . 6.3 t -116.07 162.41 17.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -96.84 130.1 44.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.06 117.73 4.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.409 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 46.0 mtp180 -114.45 -55.96 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 113' ' ' PRO . 68.4 m-85 -103.92 93.92 5.88 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.661 0.744 . . . . 0.0 110.902 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 114' ' ' VAL . 53.4 Cg_endo -69.82 79.74 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.291 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.474 HG12 ' NE2' ' A' ' 20' ' ' HIS . 97.6 t -33.33 110.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.19 158.17 50.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.549 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.401 HD21 ' O ' ' A' ' 19' ' ' TYR . 12.0 mt -51.41 -62.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 11.4 mtm -55.89 89.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -121.19 -56.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.4 m -109.14 176.17 5.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.2 m -166.34 175.13 8.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -96.82 116.37 5.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -47.32 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.1 t -147.95 176.35 10.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -152.2 150.95 30.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m -122.24 42.46 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.804 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.8 m -128.3 143.11 50.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.51 -40.88 0.96 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -79.29 116.91 19.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.818 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -166.51 138.29 3.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.01 -146.64 4.39 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -95.27 113.31 24.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.955 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 10' ' ' ILE . 5.2 mtpm? -109.1 114.22 27.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.783 ' H ' HD12 ' A' ' 10' ' ' ILE . 5.3 mp -33.84 150.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.6 m -143.68 105.94 4.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -111.47 136.52 50.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.654 HD21 ' HD3' ' A' ' 93' ' ' PRO . 22.2 mt -120.52 -20.02 7.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -50.27 -44.63 53.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.4 pt -46.49 -36.74 2.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.07 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -74.05 -175.01 2.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.08 -36.19 3.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.6 p-90 -66.93 -3.7 7.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.583 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 20.6 t80 -94.84 77.11 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.48 ' HB3' HD13 ' A' ' 23' ' ' ILE . 15.3 m-70 -75.11 93.15 2.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -96.9 167.15 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.9 t30 65.26 37.59 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.604 HD11 HH11 ' A' ' 44' ' ' ARG . 8.7 pt -131.2 175.22 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.208 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.9 p -117.34 176.18 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tpp85 -58.82 -31.47 68.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -75.38 -40.91 57.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -57.46 -52.49 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.06 -61.84 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.11 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -53.2 -59.63 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -38.41 -52.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.1 mt -52.97 -52.66 57.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.497 HD21 HG12 ' A' ' 42' ' ' ILE . 26.2 mt -57.19 -46.17 83.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -46.87 -50.0 19.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -48.64 -41.85 32.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.36 -64.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 5.8 m 69.85 44.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.595 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 12.0 ptpt -151.83 126.16 9.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.505 ' CD ' HG23 ' A' ' 108' ' ' THR . 0.2 OUTLIER -44.88 138.2 3.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.479 ' N ' ' OE1' ' A' ' 38' ' ' GLU . . . 113.87 -46.08 1.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.436 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.34 120.19 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 111.077 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.738 ' CG ' HD22 ' A' ' 110' ' ' LEU . 9.1 p90 -141.01 169.01 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.682 HD12 HH12 ' A' ' 44' ' ' ARG . 1.0 OUTLIER -164.81 167.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.12 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.576 HG22 HG12 ' A' ' 54' ' ' ILE . 57.4 t -134.77 138.0 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.682 HH12 HD12 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -134.01 174.56 10.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.06 132.86 42.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' HIS . 6.7 m -92.19 72.9 5.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' SER . 14.1 ttt180 -37.55 -27.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.2 OUTLIER -56.73 -61.13 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.4 OUTLIER -132.81 45.74 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . 37.75 31.46 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' LEU . 20.6 m -92.29 -177.43 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.866 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.613 ' HB2' HD12 ' A' ' 73' ' ' ILE . 71.7 m-85 -130.94 131.78 44.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.016 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.5 m -118.49 140.69 49.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.576 HG12 HG22 ' A' ' 43' ' ' VAL . 68.9 mt -116.92 120.1 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.459 ' CB ' ' NH2' ' A' ' 44' ' ' ARG . 73.8 m -104.13 105.26 15.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.9 t -98.65 147.42 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 56.6 t80 -92.68 111.91 23.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.2 mmt -83.37 -49.46 9.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.572 ' N ' ' HB3' ' A' ' 67' ' ' ALA . . . 89.92 124.22 2.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.437 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.62 173.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -54.9 -44.53 74.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -122.26 177.54 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.5 m -81.96 41.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -116.17 -20.09 9.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -140.45 172.88 12.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.05 154.91 35.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.572 ' HB3' ' N ' ' A' ' 59' ' ' GLY . . . -139.26 124.08 18.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.2 mt -133.34 127.77 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.457 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 13.1 mptt -103.33 157.34 17.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -122.7 112.31 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.457 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 7.3 m-85 -107.93 108.04 19.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -79.31 130.96 35.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 52' ' ' TYR . 85.1 mt -85.44 111.93 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -102.05 175.94 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.835 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.511 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 24.3 ttmt -127.39 140.98 51.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.476 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -95.34 -179.99 4.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -52.98 -31.62 41.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.417 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 1.9 m -81.33 17.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 47.8 37.75 15.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.522 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 27.5 mt-30 -110.2 143.45 40.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.724 0.297 . . . . 0.0 110.883 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.511 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 74.8 m95 -80.03 144.68 33.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.525 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 5.3 p90 -158.79 143.4 15.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.537 HG23 HD11 ' A' ' 95' ' ' LEU . 66.2 t -107.62 -45.61 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.162 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.54 7.75 21.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.525 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 16.7 tt0 51.94 26.0 3.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -132.37 -32.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -120.09 110.17 16.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -99.92 145.1 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 35.6 m-85 -119.58 -176.0 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -104.09 -21.78 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 m -139.23 150.3 45.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.691 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.0 mm -57.85 -49.38 94.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.69 0.757 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.691 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.8 Cg_endo -69.77 -6.44 18.62 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.268 . . . . 0.0 112.335 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -90.91 -34.22 15.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.625 HD23 HD13 ' A' ' 96' ' ' ILE . 1.2 tt -62.79 -39.29 93.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.625 HD13 HD23 ' A' ' 95' ' ' LEU . 4.7 mm -84.8 -15.45 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.4 t-105 -55.98 -38.29 70.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' HIS . 50.6 t80 -92.4 -52.3 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' TYR . 18.9 m-70 -36.5 -44.41 0.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -50.69 -49.4 57.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 -72.62 -47.98 43.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -143.83 128.33 18.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.18 97.88 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.25 83.75 7.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.27 -52.18 0.7 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.7 mp -73.24 145.96 45.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 18.2 mtm -70.43 -40.72 73.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.505 HG23 ' CD ' ' A' ' 38' ' ' GLU . 83.2 m -94.48 144.52 25.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.21 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -109.69 146.93 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.738 HD22 ' CG ' ' A' ' 41' ' ' PHE . 39.4 mt -67.69 117.22 9.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 65.9 mtp85 -108.68 -53.54 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.595 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 41.5 m-85 -106.88 91.83 6.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.702 0.763 . . . . 0.0 110.951 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 79.93 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.39 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.41 117.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -103.45 171.11 20.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 115' ' ' GLY . 10.7 mp -34.55 -60.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 26.7 mmt -63.26 89.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -170.22 49.37 0.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.5 p -117.31 164.23 15.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.7 m -72.4 157.1 38.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.785 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 147.91 142.84 3.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -15.33 37.07 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.36 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 61.9 p -120.31 -24.16 6.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.4 t -121.67 101.98 7.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -87.43 159.98 18.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m 60.45 49.2 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.87 139.65 2.78 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.555 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -129.18 87.24 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.908 0.385 . . . . 0.0 110.907 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 m -135.92 133.68 37.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.836 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.37 -155.52 52.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -78.08 130.37 36.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 10' ' ' ILE . 58.6 mmtt -133.93 145.64 49.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' LYS . 35.1 mm -37.64 150.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.95 0.405 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 m -117.49 99.01 6.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -91.17 112.57 24.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.831 HD21 ' HD3' ' A' ' 93' ' ' PRO . 95.9 mt -111.42 -38.21 5.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -45.37 -39.9 7.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.604 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 44.0 pt -45.33 -37.95 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.604 ' CZ ' HD11 ' A' ' 15' ' ' ILE . 28.1 m-85 -81.55 169.9 16.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -103.02 -41.48 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 19.4 p-90 -57.03 -12.76 2.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 9.0 t80 -90.03 84.09 6.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.612 ' CE1' HD13 ' A' ' 31' ' ' LEU . 13.3 m-70 -82.67 106.81 14.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HD2' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -109.84 150.11 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.8 t30 72.16 42.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.464 HD13 ' HB3' ' A' ' 20' ' ' HIS . 13.2 pt -129.57 -176.74 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.3 t -137.02 157.12 47.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 24' ' ' THR . 24.9 ttp180 -34.22 -47.04 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -56.54 -51.2 69.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' THR . 27.7 mm100 -59.05 -50.23 74.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.15 -58.68 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.57 -56.08 26.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -48.42 -52.2 23.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.612 HD13 ' CE1' ' A' ' 20' ' ' HIS . 19.3 mt -48.87 -56.33 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.549 HD11 ' O ' ' A' ' 55' ' ' SER . 39.5 mt -51.71 -46.19 63.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -54.13 -23.4 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 16.1 mm-40 -63.77 -36.74 84.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 35' ' ' GLU . 15.1 mp0 -84.19 -31.7 24.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.5 p 41.76 54.63 3.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.578 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 7.2 ptpt -155.95 144.74 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 108' ' ' THR . 14.4 tt0 -64.07 118.84 9.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.467 ' HA3' ' CG ' ' A' ' 111' ' ' ARG . . . 134.24 -29.16 3.08 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.427 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.539 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -57.02 122.97 13.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.715 ' CB ' HD22 ' A' ' 110' ' ' LEU . 8.8 p90 -137.64 160.49 39.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 41' ' ' PHE . 10.2 pt -156.97 156.92 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.3 t -124.94 121.43 61.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -113.44 160.05 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -92.94 142.35 27.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.7 m -83.75 138.25 33.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -81.05 -45.32 16.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.593 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.2 p80 -51.88 -36.73 49.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.593 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.6 tp -157.8 178.05 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.7 46.39 1.7 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 m -98.87 -177.53 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.738 ' HB2' HD12 ' A' ' 73' ' ' ILE . 65.9 m-85 -143.11 149.12 37.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.1 m -130.47 130.68 44.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.6 mt -94.72 140.13 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.549 ' O ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -127.08 105.76 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 25.1 t -103.88 154.04 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.613 ' CE2' ' HB1' ' A' ' 66' ' ' ALA . 52.0 t80 -100.75 108.88 20.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mmt -80.61 -52.11 7.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.527 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . 89.51 121.48 2.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.485 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.529 ' HB2' ' CG ' ' A' ' 65' ' ' GLU . . . -50.83 178.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.484 ' HD3' ' N ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -124.62 -54.48 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 62' ' ' ARG . 1.2 tpm_? -82.9 -66.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -76.34 142.03 41.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.7 m -52.47 -15.72 0.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.529 ' CG ' ' HB2' ' A' ' 60' ' ' ALA . 4.0 pt-20 -47.13 174.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.613 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -117.12 -179.87 3.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.527 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -146.37 131.68 18.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.7 mt -135.44 130.64 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.98 169.7 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -142.26 107.56 5.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.481 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 10.8 m-85 -100.42 120.8 40.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -83.52 139.45 32.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.738 HD12 ' HB2' ' A' ' 52' ' ' TYR . 83.3 mt -104.3 100.35 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' NZ ' ' OE2' ' A' ' 85' ' ' GLU . 32.1 mtmt -98.12 171.13 8.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.459 ' HE2' ' CZ2' ' A' ' 81' ' ' TRP . 14.7 ttmt -123.57 137.8 54.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.469 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -91.8 -177.69 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -55.66 -31.94 62.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.402 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 1.9 m -80.48 15.81 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 49.31 40.65 30.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.579 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 79.2 mt-30 -113.44 142.38 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.459 ' CZ2' ' HE2' ' A' ' 75' ' ' LYS . 69.1 m95 -80.81 138.74 36.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 17.9 p90 -152.72 150.06 29.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.613 HG23 HD11 ' A' ' 95' ' ' LEU . 71.9 t -116.69 -51.26 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.7 -3.24 37.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.5 mt-10 65.18 25.09 12.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -133.23 -32.7 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -117.4 117.26 29.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -108.11 137.37 46.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CZ ' ' CD1' ' A' ' 98' ' ' TYR . 42.9 m-85 -112.65 -175.34 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.8 -16.7 13.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -139.04 145.97 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.716 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 18.5 mm -59.83 -47.04 98.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.676 0.75 . . . . 0.0 111.182 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.831 ' HD3' HD21 ' A' ' 13' ' ' LEU . 54.1 Cg_endo -69.82 -0.89 7.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.612 2.208 . . . . 0.0 112.375 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 0.1 OUTLIER -96.4 -47.61 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.613 HD11 HG23 ' A' ' 83' ' ' VAL . 2.5 tt -52.56 -33.06 44.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.653 HG23 ' CD1' ' A' ' 110' ' ' LEU . 19.9 mm -90.75 -21.04 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.408 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.4 t-105 -53.05 -48.79 67.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 99' ' ' HIS . 1.9 p90 -76.85 -45.13 29.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.511 ' N ' ' CG ' ' A' ' 98' ' ' TYR . 4.5 t-80 -41.64 -53.42 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -45.8 -36.15 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -79.71 -50.13 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -126.87 134.41 50.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.828 ' HB2' ' HB3' ' A' ' 109' ' ' ARG . . . -89.02 83.55 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.32 -44.78 62.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -53.51 -83.62 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.54 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.5 mt -119.94 177.1 5.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 12.2 mtp -48.1 -64.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.515 HG23 ' HG2' ' A' ' 38' ' ' GLU . 85.4 m -51.77 137.85 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.147 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.828 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 15.0 ptt180 -121.06 148.26 44.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.715 HD22 ' CB ' ' A' ' 41' ' ' PHE . 13.5 mt -62.41 104.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 111' ' ' ARG . 3.5 ptm85 -124.08 -28.67 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 10.4 m-85 -112.11 90.64 14.09 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.7 0.762 . . . . 0.0 110.884 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.87 79.77 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.641 2.228 . . . . 0.0 112.36 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.9 t -37.95 126.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.24 142.67 37.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.431 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.4 mt -42.87 -62.49 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 118' ' ' GLY . 33.5 mmt -94.18 39.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 117' ' ' MET . . . 34.24 -119.05 0.27 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.7 t -133.7 41.26 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.7 t -73.78 -54.06 8.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -68.6 121.26 12.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.69 1.51 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.0 t -100.75 81.58 2.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.8 m -57.28 111.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -174.94 168.95 3.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -158.86 142.08 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.06 120.45 3.46 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.4 p -158.61 176.61 12.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.898 0.38 . . . . 0.0 110.789 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 t -157.73 126.46 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.54 159.57 9.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -81.42 155.88 25.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -134.17 137.17 44.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.8 mt -41.47 145.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.2 m -109.62 51.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -65.78 108.62 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 13.2 mt -107.66 -38.72 5.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -45.86 -36.45 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 16' ' ' TYR . 37.3 pt -53.95 -35.64 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.541 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 47.3 m-85 -78.26 -177.79 5.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -116.66 -31.26 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 11.3 p-90 -70.39 -1.36 10.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 12.8 t80 -101.59 88.39 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.567 ' HB3' HD13 ' A' ' 23' ' ' ILE . 17.5 m-70 -85.48 91.08 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -87.57 -35.66 17.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.469 ' N ' ' HG2' ' A' ' 21' ' ' ARG . 47.6 t-20 -89.37 60.85 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.567 HD13 ' HB3' ' A' ' 20' ' ' HIS . 9.3 pt -148.34 175.3 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.478 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.5 t -131.6 156.52 45.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.4 tpp85 -32.17 -50.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -55.48 -48.63 74.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' THR . 12.6 mm100 -56.91 -56.95 15.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -38.62 -46.87 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -74.68 -50.63 16.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' LEU . 75.2 t60 -53.31 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 30' ' ' HIS . 26.6 mt -35.37 -48.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.98 -46.49 74.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -44.62 -42.43 7.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -59.07 -38.48 79.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 2.3 mm-40 -69.84 -50.87 38.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 32.7 m 50.4 54.48 11.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.581 ' HE3' ' CD2' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -160.86 112.46 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.4 OUTLIER -33.74 136.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.483 ' HA3' ' CG ' ' A' ' 111' ' ' ARG . . . 119.09 -46.43 1.13 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.93 119.31 1.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.789 ' CG ' HD22 ' A' ' 110' ' ' LEU . 9.6 p90 -138.92 165.13 27.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 41' ' ' PHE . 12.8 pt -164.0 167.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.0 t -126.52 105.2 13.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.498 ' HB3' HD11 ' A' ' 23' ' ' ILE . 37.0 ptt180 -96.95 159.35 14.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -94.08 121.88 36.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.4 m -71.71 74.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' SER . 11.0 tpp180 -34.65 -36.72 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -48.79 -55.34 11.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.5 tp -133.37 173.98 10.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.58 45.97 1.62 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.551 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.6 m -123.77 -177.14 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.398 . . . . 0.0 110.778 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.48 ' HB2' HD12 ' A' ' 73' ' ' ILE . 36.1 m-85 -131.56 163.58 27.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.933 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.1 m -144.27 135.92 25.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.214 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.3 mt -97.99 139.57 19.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.1 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.5 m -124.39 102.25 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.599 HG22 ' CB ' ' A' ' 41' ' ' PHE . 17.8 t -102.17 154.2 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.574 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 48.7 t80 -102.31 114.38 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.455 ' CE ' ' HB3' ' A' ' 107' ' ' MET . 4.0 mmt -78.28 -40.28 37.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.574 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . 77.89 124.79 0.31 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.55 162.43 15.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 111.077 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -91.61 -39.98 11.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -40.16 156.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.4 m -42.03 -71.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.5 p -116.22 91.25 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -149.94 176.79 10.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -159.05 165.91 32.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.04 132.41 13.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.5 mt -138.19 130.39 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -101.83 169.21 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.468 ' ND1' ' NH2' ' A' ' 44' ' ' ARG . 94.8 m-70 -139.61 107.96 5.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.789 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.481 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 7.9 m-85 -103.85 114.8 29.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -82.92 128.11 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.48 HD12 ' HB2' ' A' ' 52' ' ' TYR . 59.7 mt -88.74 103.96 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -98.17 176.51 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.583 ' CE ' ' CH2' ' A' ' 81' ' ' TRP . 23.9 ttmt -124.9 139.4 53.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.5 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -93.11 -176.76 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -32.3 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.51 13.66 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 51.91 40.37 49.94 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.5 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 31.6 mt-30 -113.19 142.48 45.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.583 ' CH2' ' CE ' ' A' ' 75' ' ' LYS . 45.6 m95 -80.43 124.36 28.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 p90 -143.73 154.36 43.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.98 0.419 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 99.0 t -123.3 -46.79 2.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.156 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 86' ' ' ARG . . . -87.08 20.0 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 84' ' ' ALA . 3.1 pt-20 34.29 31.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 84' ' ' ALA . 22.3 mmt85 -132.62 -24.97 1.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -136.85 112.22 9.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -104.14 149.61 25.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 23.1 m-85 -125.12 -176.18 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -105.85 -24.04 12.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 m -134.2 147.16 50.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.717 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.7 mm -58.12 -47.64 98.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 111.188 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.717 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.3 Cg_endo -69.77 -0.63 7.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.621 2.214 . . . . 0.0 112.358 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -98.19 -41.21 8.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.1 tt -56.38 -34.63 66.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.568 HG23 ' CD1' ' A' ' 110' ' ' LEU . 9.4 mm -90.24 -15.95 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -58.16 -44.44 87.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 99' ' ' HIS . 6.5 m-85 -89.13 -50.35 6.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 98' ' ' TYR . 21.3 m170 -38.27 -38.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.479 ' O ' ' NE ' ' A' ' 109' ' ' ARG . 27.4 mt-30 -57.9 -51.96 67.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -66.77 -46.27 75.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -134.95 128.06 31.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.95 101.98 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -103.74 81.44 1.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 107.02 -43.4 1.69 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.9 mp -56.24 139.53 47.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.455 ' HB3' ' CE ' ' A' ' 58' ' ' MET . 13.8 mtp -48.58 -49.65 35.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.5 t -135.56 148.11 48.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.479 ' NE ' ' O ' ' A' ' 100' ' ' GLN . 14.2 ttp180 -74.06 141.83 45.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.789 HD22 ' CG ' ' A' ' 41' ' ' PHE . 24.1 mt -72.58 118.46 15.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.483 ' CG ' ' HA3' ' A' ' 39' ' ' GLY . 3.4 ptp180 -119.31 -40.04 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.581 ' CD2' ' HE3' ' A' ' 37' ' ' LYS . 14.6 m-85 -108.94 88.32 5.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.696 0.76 . . . . 0.0 110.924 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.499 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.74 79.29 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.46 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 85.3 t -37.96 129.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.58 157.81 40.55 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.416 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.5 mt -52.51 -63.27 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 118' ' ' GLY . 32.1 mtm -38.98 -67.94 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 117' ' ' MET . . . 36.46 38.72 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.5 t -140.76 144.12 35.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.918 0.39 . . . . 0.0 110.805 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.8 t -157.18 136.67 12.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 168.42 102.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -5.87 17.23 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.726 2.284 . . . . 0.0 112.345 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.2 t -48.07 153.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 125' ' ' GLY . 52.9 p -153.75 127.11 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 124' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.441 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.0 p 44.71 42.2 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.817 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 55.76 42.07 29.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.48 109.52 0.38 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -77.03 83.13 3.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m -85.86 143.36 28.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.41 -102.65 1.11 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 68.57 41.59 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -95.93 98.41 10.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.5 mt -47.96 -39.95 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.0 m -80.16 131.15 35.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -124.35 113.65 18.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 25.9 mt -108.89 -28.47 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -47.96 -38.28 16.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 16' ' ' TYR . 18.8 pt -49.35 -31.16 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.169 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.477 ' N ' HG13 ' A' ' 15' ' ' ILE . 58.0 m-85 -84.76 -178.5 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.62 -32.82 5.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.425 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 11.7 p-90 -71.15 0.73 7.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 11.0 t80 -102.05 81.98 2.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.597 ' HB3' HD13 ' A' ' 23' ' ' ILE . 41.4 m80 -76.51 94.84 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.66 HH21 HD22 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -93.28 164.33 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.3 t30 62.3 39.81 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.597 HD13 ' HB3' ' A' ' 20' ' ' HIS . 15.5 pt -131.15 176.21 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.424 HG22 ' HG2' ' A' ' 27' ' ' GLN . 13.5 t -132.92 167.59 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -39.48 -51.66 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -53.39 -52.55 58.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.424 ' HG2' HG22 ' A' ' 24' ' ' THR . 14.7 mm100 -53.77 -59.68 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.426 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -45.2 -63.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -53.56 -58.13 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -41.42 -60.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.0 mt -41.71 -43.24 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.481 HD11 ' O ' ' A' ' 55' ' ' SER . 59.5 mt -67.21 -51.97 46.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -41.37 -46.43 3.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -57.93 -43.98 86.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.23 -39.53 93.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.427 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 68.2 p 43.71 45.98 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.576 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 8.2 ptpt -152.19 139.17 19.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -61.74 130.98 48.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.04 -41.47 1.78 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -48.33 106.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 111.06 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.917 ' CG ' HD22 ' A' ' 110' ' ' LEU . 2.4 p90 -127.56 165.24 20.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.79 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.59 HG23 ' O ' ' A' ' 41' ' ' PHE . 14.0 pt -160.3 162.71 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.1 t -124.25 104.04 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.588 ' HB3' HD11 ' A' ' 23' ' ' ILE . 19.1 ptt85 -94.62 169.62 10.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.49 107.89 19.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.403 ' OG ' ' C ' ' A' ' 51' ' ' SER . 15.2 m -39.74 139.65 0.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -89.39 -41.18 12.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.6 p-80 -57.31 -35.3 69.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.3 mt -157.12 -175.69 5.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.18 42.65 2.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.403 ' C ' ' OG ' ' A' ' 46' ' ' SER . 3.3 m -99.0 175.63 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.438 ' HB2' HD12 ' A' ' 73' ' ' ILE . 89.0 m-85 -132.62 140.89 48.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.4 m -128.51 140.78 51.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.175 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.1 mt -105.33 125.77 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.481 ' O ' HD11 ' A' ' 32' ' ' LEU . 49.3 m -109.98 98.27 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.484 HG22 ' CB ' ' A' ' 41' ' ' PHE . 22.2 t -98.6 149.88 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.674 ' HE1' ' HB1' ' A' ' 66' ' ' ALA . 40.9 t80 -98.63 143.53 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.751 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 5.3 mmt -103.42 -60.02 1.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.415 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . 129.53 20.0 1.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.53 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 54.29 32.71 16.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.774 0.321 . . . . 0.0 111.17 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -59.95 -49.81 76.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 62' ' ' ARG . 0.5 OUTLIER -100.58 -61.74 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.4 m -46.55 167.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.2 t -74.88 -21.78 59.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' ALA . 5.4 mm-40 -144.25 -178.32 5.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.674 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . -33.05 121.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.751 ' HB3' ' HB2' ' A' ' 58' ' ' MET . . . -98.81 113.42 25.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.076 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.8 mt -117.85 133.16 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -101.47 161.1 13.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -136.2 105.21 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.448 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 14.3 m-85 -100.65 112.32 24.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -85.69 126.82 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.438 HD12 ' HB2' ' A' ' 52' ' ' TYR . 46.4 mt -86.32 103.6 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 1.1 mppt? -96.9 169.8 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' CE ' ' CZ2' ' A' ' 81' ' ' TRP . 7.7 ttmm -118.59 136.08 54.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.434 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -90.56 -175.75 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -59.8 -30.88 69.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.433 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 3.2 m -80.26 19.89 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 46.11 44.71 14.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.434 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 32.6 mt-30 -120.07 142.48 48.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.756 0.313 . . . . 0.0 110.983 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.4 ' CZ2' ' CE ' ' A' ' 75' ' ' LYS . 70.2 m95 -79.98 132.54 36.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.9 p90 -148.09 158.45 44.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.003 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.684 HG23 HD11 ' A' ' 95' ' ' LEU . 77.4 t -119.55 -45.53 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' ARG . . . -95.33 22.1 7.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 84' ' ' ALA . 3.9 pt-20 36.58 28.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' ALA . 15.3 mmt180 -129.86 -24.91 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -133.26 99.87 4.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -91.6 150.53 21.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 39.0 m-85 -123.58 -174.7 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -104.54 -25.85 12.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.439 ' HB2' ' CD ' ' A' ' 94' ' ' GLU . 2.3 m -139.22 154.83 48.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.728 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 20.1 mm -59.51 -46.74 98.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.658 0.742 . . . . 0.0 111.174 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.728 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.79 -4.12 13.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.621 2.214 . . . . 0.0 112.383 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.439 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.2 OUTLIER -94.83 -37.91 11.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.684 HD11 HG23 ' A' ' 83' ' ' VAL . 1.4 tt -59.81 -36.14 76.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.575 HG22 ' HG3' ' A' ' 100' ' ' GLN . 19.3 mm -87.93 -15.94 9.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.117 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -56.63 -41.85 77.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -94.44 -49.79 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -41.81 -36.83 1.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.575 ' HG3' HG22 ' A' ' 96' ' ' ILE . 10.5 mt-30 -52.73 -57.0 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -74.39 -48.92 24.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -117.71 102.79 9.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.91 96.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.72 94.74 9.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 80.08 34.32 30.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.3 mp -136.31 133.94 37.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.862 0.363 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 58.2 mtt -46.76 -52.46 14.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.2 t -120.57 164.31 16.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.16 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.7 ptt85 -103.8 131.97 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.917 HD22 ' CG ' ' A' ' 41' ' ' PHE . 26.7 mt -52.05 108.1 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 112' ' ' TYR . 14.0 ptm180 -111.44 -46.3 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.576 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 14.1 m-85 -107.82 87.05 3.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.851 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.77 84.62 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.64 2.227 . . . . 0.0 112.422 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 113' ' ' PRO . 95.3 t -34.06 128.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -78.21 161.58 48.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.66 HD22 HH21 ' A' ' 21' ' ' ARG . 14.6 mt -61.11 -61.93 2.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' LEU . 14.7 mmt -34.35 -63.69 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 47.92 41.49 21.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.2 t -112.95 100.5 8.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 0.0 110.891 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.5 m -84.81 134.97 34.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -152.44 175.06 31.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.444 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -18.29 36.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.634 2.223 . . . . 0.0 112.339 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.0 m -129.31 42.29 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.9 t -113.43 142.54 45.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.51 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -47.58 168.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.836 0.351 . . . . 0.0 110.879 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -84.11 163.48 19.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.93 -122.22 0.64 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.431 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 p -161.14 177.67 10.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 p -79.35 -57.76 3.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.09 62.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.542 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -108.09 103.93 13.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -79.94 83.8 5.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.5 mt -83.14 141.62 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 m -143.27 118.26 10.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -124.7 108.7 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 49.6 mt -106.91 -33.28 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -46.96 -39.38 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.489 HG13 ' N ' ' A' ' 16' ' ' TYR . 23.4 pt -48.49 -32.83 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.543 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 62.9 m-85 -76.34 178.63 6.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -113.95 -33.41 5.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.2 p-90 -73.69 3.32 6.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 14.0 t80 -105.26 81.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.584 ' HB3' HG21 ' A' ' 23' ' ' ILE . 49.9 m80 -78.23 88.54 4.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 10.2 ptm180 -85.1 -40.85 16.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -83.51 58.94 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.584 HG21 ' HB3' ' A' ' 20' ' ' HIS . 8.9 pt -146.26 174.43 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.9 t -131.42 164.81 24.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' THR . 6.6 tpp180 -36.74 -50.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.75 -57.37 12.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -48.44 -57.38 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -38.73 -51.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HA ' HD13 ' A' ' 68' ' ' ILE . 15.7 mt-10 -69.89 -55.68 9.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' LEU . 18.6 t60 -48.9 -63.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' HIS . 53.8 mt -34.6 -52.56 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.533 HD21 HG12 ' A' ' 42' ' ' ILE . 39.8 mt -65.12 -51.69 59.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -44.34 -51.98 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -45.97 -47.58 16.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.42 -42.41 92.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p 47.63 52.52 12.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.494 ' HD2' ' CD1' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -148.75 122.29 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -45.93 124.24 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.85 -39.33 2.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.589 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.45 ' N ' ' HB2' ' A' ' 112' ' ' TYR . . . -41.91 108.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.598 ' CG ' HD22 ' A' ' 110' ' ' LEU . 10.9 p90 -126.57 155.84 41.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.533 HG12 HD21 ' A' ' 32' ' ' LEU . 11.1 pt -156.03 157.33 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.15 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.435 HG22 HG12 ' A' ' 54' ' ' ILE . 93.1 t -118.06 103.27 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.546 ' HB3' HD11 ' A' ' 23' ' ' ILE . 8.8 ptm180 -97.8 162.61 13.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.77 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -98.5 134.7 41.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.2 m -81.97 74.12 8.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 46' ' ' SER . 26.8 ttp180 -35.09 -34.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -50.31 -54.35 22.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -134.81 175.68 9.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.05 46.33 1.8 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -120.34 -177.35 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.369 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -129.37 167.81 17.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.961 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.8 m -148.45 149.98 32.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.435 HG12 HG22 ' A' ' 43' ' ' VAL . 33.1 mt -117.72 138.41 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.44 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -119.38 110.6 17.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.0 t -111.88 146.49 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.641 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 45.6 t80 -94.4 103.6 15.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.35 -50.52 59.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.499 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . 113.75 138.31 6.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.26 78.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.842 0.353 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLY . 9.0 mmm180 -115.87 -48.38 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -94.45 -46.11 7.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -79.62 172.55 13.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.1 m -72.07 -22.05 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -138.24 -178.21 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.641 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . -39.12 159.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -131.21 130.11 42.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 29' ' ' GLU . 19.9 mt -134.08 128.31 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -105.42 162.54 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.992 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -133.2 105.03 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.559 ' HB3' HG13 ' A' ' 83' ' ' VAL . 11.8 m-85 -97.48 113.75 25.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -77.58 136.04 38.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.1 mt -96.78 105.21 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.247 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -100.1 170.69 8.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.44 ' HD2' ' C ' ' A' ' 79' ' ' GLY . 24.1 ttpp -127.71 121.65 30.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -66.01 -173.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -78.04 12.71 1.69 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -116.9 17.79 14.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.44 ' C ' ' HD2' ' A' ' 75' ' ' LYS . . . 57.6 32.65 65.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.464 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.424 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 67.9 mt-30 -119.28 134.37 55.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -79.62 150.08 31.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 4.2 p90 -160.45 143.93 13.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.559 HG13 ' HB3' ' A' ' 71' ' ' TYR . 71.3 t -105.25 -54.73 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.8 11.29 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.171 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.573 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 17.5 tt0 48.42 26.85 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -131.32 -31.99 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -121.38 103.0 8.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -95.28 145.16 25.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 95' ' ' LEU . 65.5 m-85 -119.01 -175.57 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -103.12 -21.87 13.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.4 m -143.04 153.39 42.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.714 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 16.9 mm -60.0 -47.99 95.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.714 0.769 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.714 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.0 Cg_endo -69.84 2.96 3.1 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 3.0 mm-40 -101.55 -43.06 6.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.564 ' HA ' ' CE1' ' A' ' 89' ' ' PHE . 1.8 tt -55.06 -34.89 63.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.779 HG23 ' CD1' ' A' ' 110' ' ' LEU . 24.7 mm -87.75 -21.51 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.407 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.5 t-105 -52.35 -46.23 66.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' HIS . 7.9 m-85 -90.8 -53.39 4.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' TYR . 1.1 m80 -36.91 -42.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.433 ' HG3' HG22 ' A' ' 96' ' ' ILE . 24.4 mt-30 -40.26 -52.68 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -88.74 -40.16 13.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 104' ' ' ALA . 0.6 OUTLIER -91.99 97.2 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.772 ' HB2' ' HB3' ' A' ' 109' ' ' ARG . . . -64.42 75.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 102' ' ' ASN . . . -90.47 118.79 30.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 116.64 -81.26 0.31 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 107' ' ' MET . 4.5 mm? -109.91 138.22 46.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.854 0.359 . . . . 0.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 106' ' ' LEU . 14.6 mtp -34.54 -54.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.4 m -62.3 141.95 58.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.772 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 1.0 OUTLIER -122.16 171.85 8.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.779 ' CD1' HG23 ' A' ' 96' ' ' ILE . 14.5 mt -82.83 103.67 12.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -121.63 -31.5 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.494 ' CD1' ' HD2' ' A' ' 37' ' ' LYS . 26.0 m-85 -108.05 82.41 1.49 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.687 0.756 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.502 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 54.7 Cg_endo -69.78 79.96 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.413 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.3 t -47.35 115.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -89.58 152.24 22.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 115' ' ' GLY . 10.2 mp -34.45 -62.29 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.793 0.33 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 116' ' ' LEU . 9.3 mtt -35.8 -65.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 45.65 -172.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 65.4 p 48.87 43.66 21.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 110.787 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 43.4 25.04 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -44.91 121.85 4.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.561 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 5.99 1.46 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.728 2.286 . . . . 0.0 112.41 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.6 p 52.46 43.05 31.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 64.8 p -102.09 151.05 22.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -105.19 123.43 47.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 0.0 110.894 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -68.02 -53.99 21.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.791 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.22 123.57 3.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -174.85 162.96 3.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 110.816 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -63.71 149.4 46.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.24 -92.38 0.97 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -66.12 153.09 43.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.364 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.502 ' O ' HG23 ' A' ' 11' ' ' THR . 29.1 mttp -131.01 115.6 16.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 10' ' ' ILE . 5.4 mp -35.73 122.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 9' ' ' LYS . 6.8 p -131.59 36.15 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.192 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -61.62 113.85 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 38.7 mt -115.65 -36.73 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -45.51 -38.3 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.545 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 37.6 pt -49.15 -35.69 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.545 ' CZ ' HD11 ' A' ' 15' ' ' ILE . 38.2 m-85 -84.47 172.85 11.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 17' ' ' GLU . 15.3 pm0 -106.97 -32.43 7.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.473 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 13.9 p-90 -67.67 -3.18 8.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 8.2 t80 -99.61 77.6 2.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -67.88 116.46 8.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.69 149.52 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.0 t30 74.74 44.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.8 pt -134.26 -179.4 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.149 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' ARG . 11.9 t -135.57 167.78 20.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' THR . 8.6 tpp85 -38.0 -54.89 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.792 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -50.11 -52.59 33.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -54.25 -56.51 17.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.42 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -43.58 -61.28 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.029 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.01 -60.65 3.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' LEU . 86.2 t60 -42.29 -64.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.437 ' CD2' ' HA3' ' A' ' 118' ' ' GLY . 27.9 mt -35.25 -52.85 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.421 HD23 HG21 ' A' ' 114' ' ' VAL . 78.9 mt -57.68 -54.06 51.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -41.11 -53.26 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -40.2 -44.87 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -77.17 -41.81 40.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m 43.78 46.67 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.7 pttm -140.89 116.73 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' LYS . 9.2 tt0 -36.56 115.96 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.48 -37.13 1.99 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.78 111.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.752 ' CG ' HD22 ' A' ' 110' ' ' LEU . 3.2 p90 -135.5 157.48 46.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.481 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 25.6 pt -156.45 158.81 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.2 t -122.96 110.81 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -104.97 159.16 16.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -85.48 143.96 28.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 48' ' ' HIS . 4.0 m -92.16 82.71 5.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' SER . 3.4 mtp85 -35.94 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.615 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -58.5 -53.84 53.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.615 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -148.27 -174.97 4.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.8 42.79 1.34 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.465 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.6 p -107.26 -177.53 3.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.931 0.396 . . . . 0.0 110.919 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.559 ' HB2' HD12 ' A' ' 73' ' ' ILE . 96.8 m-85 -149.83 141.54 23.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -124.28 131.42 53.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.3 mt -94.62 139.33 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 m -119.19 98.29 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.436 HG22 ' CB ' ' A' ' 41' ' ' PHE . 28.4 t -101.73 145.16 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.187 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.546 ' HE1' ' HB1' ' A' ' 66' ' ' ALA . 52.9 t80 -92.66 117.85 30.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 mmt -86.35 -54.53 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.57 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . 93.81 115.34 2.54 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.12 119.35 6.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.71 0.291 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.438 ' HD2' ' C ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -88.0 -34.31 18.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 14.9 tpt180 -67.56 -45.14 76.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 m -126.91 -179.73 4.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 64' ' ' THR . 12.7 m -87.58 37.46 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -95.28 -176.14 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.546 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . -115.64 132.28 56.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.57 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -117.53 131.46 56.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.03 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.9 mt -135.7 132.88 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 1.0 OUTLIER -105.4 174.08 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -143.54 106.6 4.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.43 ' HB3' HG11 ' A' ' 83' ' ' VAL . 3.1 m-85 -100.45 113.75 26.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -82.38 136.65 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 52' ' ' TYR . 62.5 mt -95.38 106.57 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.179 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -98.4 174.41 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -121.5 139.59 53.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 29.2 p30 -86.9 -176.26 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -66.88 -31.01 71.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -83.56 17.46 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.77 48.29 79.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.515 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 54.0 mt-30 -121.92 146.35 47.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.522 ' HE3' HG22 ' A' ' 73' ' ' ILE . 93.0 m95 -85.48 136.61 33.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -155.57 157.29 36.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.43 HG11 ' HB3' ' A' ' 71' ' ' TYR . 83.8 t -130.91 -45.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.64 -7.04 58.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.81 25.07 9.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -133.43 -32.08 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -120.5 113.72 20.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -104.49 143.98 32.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 75.5 m-85 -122.37 -175.64 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -112.83 -21.48 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 m -133.61 148.95 51.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.717 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 19.3 mm -59.22 -47.71 97.75 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.686 0.755 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.717 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.2 Cg_endo -69.8 -5.87 17.26 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.661 2.241 . . . . 0.0 112.394 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -92.8 -39.13 11.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 2.8 tt -58.44 -36.66 73.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.743 HG23 HD12 ' A' ' 110' ' ' LEU . 20.2 mm -87.92 -17.5 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.3 t-105 -55.19 -46.59 75.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 99' ' ' HIS . 11.9 m-85 -88.21 -54.36 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 98' ' ' TYR . 16.8 m80 -36.11 -36.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.83 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -43.8 -54.43 5.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -89.6 -47.81 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 103' ' ' ALA . 62.2 m-80 -100.6 85.57 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.594 ' HB2' ' HB3' ' A' ' 109' ' ' ARG . . . -36.74 -41.53 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 43.88 36.32 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.66 -46.42 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 107' ' ' MET . 5.5 mp -141.05 141.78 34.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 106' ' ' LEU . 36.4 ttm -35.44 -50.88 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 90.6 m -78.64 140.81 38.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.594 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -127.21 149.52 49.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.752 HD22 ' CG ' ' A' ' 41' ' ' PHE . 23.4 mt -50.01 115.68 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 7.6 ptp180 -126.52 -39.5 2.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -107.0 85.15 1.81 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.669 0.747 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.76 83.31 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.718 2.279 . . . . 0.0 112.343 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.481 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 72.3 t -33.96 124.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.15 156.82 47.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.3 -60.83 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.938 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 33.6 mmt -54.21 90.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.437 ' HA3' ' CD2' ' A' ' 31' ' ' LEU . . . -95.86 -99.4 1.82 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.6 t -174.73 157.15 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 m -167.48 171.62 10.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -152.19 146.24 14.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -172.08 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.321 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 25.6 p -152.3 178.08 9.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.747 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.7 m 55.65 42.72 29.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.232 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -107.9 -60.2 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.867 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -117.91 156.99 27.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.55 82.23 0.21 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.8 p -118.47 124.61 48.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 p -84.34 -51.49 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.26 161.68 9.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 m120 64.45 43.74 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -91.29 143.58 26.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.782 ' H ' HD12 ' A' ' 10' ' ' ILE . 5.4 mp -35.97 135.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 m -88.65 96.69 10.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -91.43 108.07 19.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.517 HD21 ' HD3' ' A' ' 93' ' ' PRO . 95.4 mt -106.4 -38.96 6.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -44.66 -38.98 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.659 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 44.0 pt -47.62 -37.03 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.659 ' CZ ' HD11 ' A' ' 15' ' ' ILE . 13.6 m-85 -80.03 170.22 16.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HB2' ' CA ' ' A' ' 115' ' ' GLY . 1.3 pm0 -105.08 -33.63 8.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.486 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 20.4 p-90 -65.53 -16.05 63.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.584 ' CE2' ' HD3' ' A' ' 21' ' ' ARG . 8.9 t80 -86.05 76.21 9.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 26.1 m-70 -73.26 100.7 3.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.584 ' HD3' ' CE2' ' A' ' 19' ' ' TYR . 21.3 ptt-85 -100.13 163.94 12.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 m120 62.34 41.49 10.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.432 ' HB ' ' CB ' ' A' ' 27' ' ' GLN . 18.9 pt -128.51 177.12 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.52 HG22 ' HG2' ' A' ' 27' ' ' GLN . 10.5 t -130.08 163.38 26.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.0 OUTLIER -34.45 -58.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.84 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -47.78 -51.11 23.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HG2' HG22 ' A' ' 24' ' ' THR . 15.3 mm100 -52.73 -60.77 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -39.15 -64.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.072 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -56.54 -52.43 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' LEU . 86.6 t60 -47.25 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' HIS . 18.2 mt -34.48 -42.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 55' ' ' SER . 55.8 mt -67.34 -55.71 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 6.0 mmm180 -41.44 -48.41 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -44.4 -42.71 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -78.69 -43.6 25.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t 50.4 50.57 18.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.605 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 15.4 ptpt -145.05 140.45 28.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -56.21 125.1 20.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' ALA . . . 122.02 -43.26 1.51 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.462 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . -36.3 109.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 111.154 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 5.8 p90 -133.31 160.31 37.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.473 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 27.5 pt -154.42 164.63 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.4 t -123.53 102.85 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.412 ' HB3' HD11 ' A' ' 23' ' ' ILE . 23.2 ptt85 -99.18 165.42 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.24 138.41 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' HIS . 2.0 m -92.04 74.01 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' SER . 37.1 ttp85 -34.58 -36.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -50.28 -54.61 20.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.836 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.583 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.3 tp -135.23 172.99 12.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.5 45.29 1.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.1 m -123.17 -176.99 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -131.25 170.18 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.8 m -146.27 134.41 21.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.5 mt -100.34 130.58 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.521 ' HB3' HD11 ' A' ' 32' ' ' LEU . 3.6 m -113.43 101.0 8.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.484 HG11 HG22 ' A' ' 108' ' ' THR . 23.9 t -100.14 150.19 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.486 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 73.4 t80 -97.14 102.7 14.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.451 ' HG3' ' CE ' ' A' ' 69' ' ' LYS . 5.6 mmt -69.23 -50.35 47.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.34 110.17 2.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.9 175.98 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -63.62 -52.33 61.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -103.22 142.33 34.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.8 p -49.46 -43.66 45.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.2 m -47.39 -22.83 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.094 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -117.48 172.09 7.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.486 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . -142.3 169.23 17.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.09 123.01 10.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.3 mt -130.01 137.43 56.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.451 ' CE ' ' HG3' ' A' ' 58' ' ' MET . 14.1 mptt -111.9 161.83 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -130.0 110.9 12.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.935 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -107.13 105.29 15.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.12 125.53 29.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.566 HG12 HG22 ' A' ' 83' ' ' VAL . 57.9 mt -83.35 113.41 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -99.8 177.66 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.834 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' CD ' ' HA2' ' A' ' 79' ' ' GLY . 1.0 OUTLIER -129.07 139.8 51.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.471 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -94.44 -176.84 4.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -56.54 -31.89 64.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.416 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 1.7 m -80.38 16.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 75' ' ' LYS . . . 48.99 39.34 25.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.482 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.496 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . 49.6 mt-30 -111.14 140.33 45.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.411 ' CZ2' ' HE3' ' A' ' 75' ' ' LYS . 75.1 m95 -79.86 140.07 36.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 5.1 p90 -153.67 154.31 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.732 HG23 HD11 ' A' ' 95' ' ' LEU . 92.3 t -112.66 -58.32 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.99 -5.22 33.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.573 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.3 mt-10 68.33 25.02 7.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 86' ' ' ARG . 1.4 mmp_? -133.22 -33.09 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -112.91 104.6 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.496 ' HB1' ' CB ' ' A' ' 80' ' ' GLN . . . -96.38 136.5 36.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 77.4 m-85 -112.03 -174.98 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -103.69 -25.51 13.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -139.56 151.6 46.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.695 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.5 mm -59.25 -49.23 93.88 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.604 0.716 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.695 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.78 1.13 4.73 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 0.1 OUTLIER -99.84 -39.86 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.732 HD11 HG23 ' A' ' 83' ' ' VAL . 1.1 tt -56.05 -38.22 70.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.469 HG23 ' CD1' ' A' ' 110' ' ' LEU . 17.2 mm -81.69 -28.65 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.423 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.8 t-105 -44.09 -45.23 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -85.38 -43.17 13.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -43.09 -39.95 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -55.5 -43.96 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -79.18 -44.8 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.77 117.82 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.55 ' HB2' ' HA ' ' A' ' 109' ' ' ARG . . . -60.44 93.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.87 88.01 7.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 140.18 173.25 13.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 tt -74.24 78.43 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.6 ptp -175.09 162.21 3.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.484 HG22 HG11 ' A' ' 56' ' ' VAL . 14.8 t -62.12 171.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.55 ' HA ' ' HB2' ' A' ' 103' ' ' ALA . 10.6 ttp180 -93.99 118.51 31.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 16.9 mt -45.96 121.05 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 57.1 mtp85 -116.09 -59.16 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.605 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 13.0 m-85 -102.35 96.77 7.61 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.659 0.742 . . . . 0.0 110.937 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 112' ' ' TYR . 53.9 Cg_endo -69.7 79.16 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.473 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 90.4 t -38.38 112.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.445 ' CA ' ' HB2' ' A' ' 17' ' ' GLU . . . -102.86 154.95 18.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.508 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 117' ' ' MET . 10.3 mp -42.16 -56.52 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 116' ' ' LEU . 34.4 mtm -34.09 -60.27 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 51.09 -173.28 0.13 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.435 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.0 t -130.86 87.86 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -175.05 172.76 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 150.5 65.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -49.76 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.257 . . . . 0.0 112.319 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 67.3 m -119.06 169.73 9.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 61.1 m -162.09 165.65 26.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.76 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.429 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -81.54 106.23 13.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.796 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.1 m -93.35 173.23 7.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.55 -178.45 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 p -83.74 -58.89 2.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.867 0.365 . . . . 0.0 110.831 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 64.47 39.94 6.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.828 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.52 -110.09 3.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.536 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -95.54 110.43 22.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.07 37.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.9 mt -86.1 141.47 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 m 71.22 51.16 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.195 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -59.06 118.95 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.0 mt -120.93 -27.96 4.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -48.97 -39.22 25.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 16' ' ' TYR . 22.2 pt -52.34 -29.31 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.065 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 41.2 m-85 -80.14 166.99 20.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.56 -32.32 8.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.4 p-90 -75.43 5.87 5.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.41 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 11.7 t80 -104.3 75.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -74.98 102.64 4.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -99.79 157.67 16.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.03 43.58 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.927 HD11 ' HB3' ' A' ' 44' ' ' ARG . 16.1 pt -131.11 173.79 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.5 t -133.57 169.24 17.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -41.67 -46.51 3.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -57.22 -49.97 74.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -57.41 -55.16 38.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.52 -59.75 3.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.565 ' HA ' HD13 ' A' ' 68' ' ' ILE . 17.9 mt-10 -53.74 -57.19 11.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' LEU . 61.0 t60 -53.56 -66.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' HIS . 23.0 mt -34.25 -54.16 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.462 HD11 ' HB3' ' A' ' 55' ' ' SER . 48.1 mt -54.37 -52.55 61.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -48.19 -26.63 2.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 18.7 mm-40 -57.67 -36.07 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -88.5 -40.54 13.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.2 p 51.85 46.74 26.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.485 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 3.5 ptpt -146.98 127.96 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -44.05 136.53 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.41 -34.32 5.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.58 108.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.363 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.675 ' CG ' HD22 ' A' ' 110' ' ' LEU . 16.0 p90 -132.82 162.56 31.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.597 HG23 ' O ' ' A' ' 41' ' ' PHE . 16.8 pt -160.52 156.77 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.432 HG22 HG12 ' A' ' 54' ' ' ILE . 95.3 t -116.68 114.43 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.195 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.927 ' HB3' HD11 ' A' ' 23' ' ' ILE . 18.7 ptt85 -111.1 162.95 14.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.81 137.91 31.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.4 m -74.03 139.08 44.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -81.59 -46.05 14.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.5 p80 -50.71 -38.87 49.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.628 HD23 ' N ' ' A' ' 50' ' ' GLY . 0.8 OUTLIER -156.18 176.59 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.628 ' N ' HD23 ' A' ' 49' ' ' LEU . . . -74.11 45.33 1.41 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.13 -177.4 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.863 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.475 ' HB3' HD12 ' A' ' 73' ' ' ILE . 58.8 m-85 -130.01 153.69 48.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.4 m -145.29 134.75 23.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.432 HG12 HG22 ' A' ' 43' ' ' VAL . 41.1 mt -102.69 131.33 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.462 ' HB3' HD11 ' A' ' 32' ' ' LEU . 27.3 m -114.16 102.37 10.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.558 HG22 ' CB ' ' A' ' 41' ' ' PHE . 33.2 t -101.5 148.02 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.531 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 55.6 t80 -99.8 110.36 22.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mmt -69.09 -54.19 16.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.531 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . 107.47 145.23 11.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.85 82.88 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 111.1 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 63' ' ' SER . 18.5 mmt180 -90.05 85.5 6.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 61' ' ' ARG . 13.7 mmp_? 35.04 35.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.565 ' O ' HG23 ' A' ' 64' ' ' THR . 28.4 p -128.77 -54.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 63' ' ' SER . 24.5 p -160.32 151.69 19.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.114 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' ALA . 34.3 mt-10 -44.33 169.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' GLU . . . -32.48 119.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.063 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.4 133.72 51.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.05 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.565 HD13 ' HA ' ' A' ' 29' ' ' GLU . 24.8 mt -135.2 126.21 45.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.518 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 11.9 mptt -101.31 167.19 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -139.22 107.2 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 2.3 m-85 -100.2 104.87 16.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -74.93 124.9 27.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.475 HD12 ' HB3' ' A' ' 52' ' ' TYR . 19.0 mt -85.58 101.9 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.071 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 1.1 mppt? -96.41 172.38 7.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -125.07 139.03 54.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.458 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -97.56 -177.12 3.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.54 -31.34 64.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.407 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 2.4 m -80.79 18.47 0.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 47.1 41.26 14.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.438 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.506 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 60.0 mt-30 -112.32 137.72 50.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.931 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.414 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 85.4 m95 -82.43 132.91 35.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.472 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.8 p90 -151.88 155.61 38.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.513 HG22 HD11 ' A' ' 95' ' ' LEU . 5.1 m -125.3 -43.58 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.12 -2.33 36.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.3 mt-10 59.08 25.0 13.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -132.97 -32.34 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -120.74 114.58 21.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -105.84 135.93 46.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 54.5 m-85 -110.82 -175.84 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -104.05 -27.9 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.0 m -135.95 155.58 50.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.689 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.2 mm -60.44 -48.91 92.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.074 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.689 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.9 Cg_endo -69.71 2.58 3.38 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 10.7 mt-10 -99.35 -42.77 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 1.3 tt -55.49 -34.68 64.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.54 HD13 HD23 ' A' ' 95' ' ' LEU . 7.0 mm -88.81 -19.47 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.061 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.402 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.1 t-105 -54.46 -47.4 72.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -84.22 -49.84 8.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -40.64 -39.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -56.15 -41.38 75.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -82.9 -55.28 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -79.29 -177.53 5.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -114.17 41.21 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.12 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.68 172.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.88 -91.68 0.7 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 107' ' ' MET . 7.2 mp -120.63 156.66 31.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 106' ' ' LEU . 7.8 mmt -34.69 -39.74 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 97.4 m -79.67 143.37 34.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.6 ptt85 -117.98 141.63 48.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.675 HD22 ' CG ' ' A' ' 41' ' ' PHE . 53.0 mt -44.81 134.62 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.487 ' HG3' ' CD2' ' A' ' 112' ' ' TYR . 0.7 OUTLIER -134.98 -50.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.487 ' CD2' ' HG3' ' A' ' 111' ' ' ARG . 11.1 m-85 -105.53 90.17 3.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.685 0.755 . . . . 0.0 110.856 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.497 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.86 79.6 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.66 2.24 . . . . 0.0 112.293 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 69.7 t -48.16 123.36 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.56 -179.16 33.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.18 -62.48 1.37 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.82 0.343 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 10.7 ptp -55.94 -51.38 67.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.783 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 69.39 -82.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.6 p -132.59 149.88 52.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.5 p -87.0 179.14 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.21 174.96 54.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 2.7 3.25 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.262 . . . . 0.0 112.362 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.4 p -41.68 -49.07 4.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.4 m -93.08 130.15 38.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 m -119.09 81.91 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.838 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t 39.38 42.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.808 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.75 71.64 0.28 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.524 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -82.83 -56.25 3.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.879 0.371 . . . . 0.0 110.879 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -111.25 152.06 27.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.47 124.21 0.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.539 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -156.92 172.95 17.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.92 145.56 2.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.485 HG22 ' OD1' ' A' ' 12' ' ' ASN . 62.9 mt -49.47 149.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.457 ' C ' ' CG ' ' A' ' 12' ' ' ASN . 74.3 p -95.79 -50.74 4.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.485 ' OD1' HG22 ' A' ' 10' ' ' ILE . 0.8 OUTLIER 48.58 54.89 9.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.595 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 6.5 mt -72.19 -20.73 61.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -47.1 -36.16 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.479 HG13 ' N ' ' A' ' 16' ' ' TYR . 31.5 pt -52.53 -33.23 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.479 ' N ' HG13 ' A' ' 15' ' ' ILE . 63.4 m-85 -77.49 -178.21 5.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.84 -36.42 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.4 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 10.0 p-90 -68.11 -2.29 7.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.595 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 5.5 t80 -97.23 89.42 4.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.401 ' CD2' ' CG2' ' A' ' 42' ' ' ILE . 42.5 m-70 -82.44 106.49 14.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 7.2 ptm180 -109.02 155.2 21.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 73.26 40.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.0 pt -133.08 178.2 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.4 t -133.81 164.58 26.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 24' ' ' THR . 20.4 ttt180 -36.54 -53.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -51.01 -51.0 57.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -57.34 -57.99 10.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.41 -48.9 3.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.488 ' HA ' HD12 ' A' ' 32' ' ' LEU . 14.6 mt-10 -69.08 -57.4 5.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -45.98 -60.05 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.6 mt -41.01 -47.22 3.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 29' ' ' GLU . 6.6 mt -66.77 -46.1 76.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -43.2 -43.11 4.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -56.51 -44.26 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.78 -54.17 45.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.581 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 45.9 p 52.82 52.17 14.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -156.55 119.29 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' O ' ' NE ' ' A' ' 111' ' ' ARG . 20.9 tt0 -43.23 117.97 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.69 -36.3 2.09 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.39 113.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.769 ' CG ' HD22 ' A' ' 110' ' ' LEU . 6.4 p90 -133.44 155.31 49.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.401 ' CG2' ' CD2' ' A' ' 20' ' ' HIS . 16.2 pt -150.62 164.78 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.7 t -122.59 105.78 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 44' ' ' ARG . 1.6 ptm85 -101.98 161.62 13.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.4 OUTLIER -93.59 142.14 27.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' HIS . 2.5 m -92.45 76.09 5.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -35.26 -32.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -53.05 -52.7 57.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 1.2 tp -137.86 177.17 8.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.42 45.7 1.83 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.8 m -124.78 -177.72 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.371 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -133.29 170.54 15.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.937 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.7 m -146.43 146.12 30.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.7 mt -105.5 140.59 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -124.31 100.81 6.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.628 HG11 HG21 ' A' ' 108' ' ' THR . 19.7 t -102.63 147.95 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.654 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 44.2 t80 -95.31 96.43 9.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.816 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.0 mmt -59.33 -50.46 73.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.474 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . 123.75 143.12 6.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.439 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.729 ' HB2' ' HA ' ' A' ' 66' ' ' ALA . . . -82.07 78.49 8.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 111.128 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -85.55 -59.91 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.556 HH11 HG23 ' A' ' 64' ' ' THR . 1.2 tmt_? -68.41 154.74 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 62' ' ' ARG . 3.0 t -31.03 -41.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.556 HG23 HH11 ' A' ' 62' ' ' ARG . 44.9 p -49.38 176.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 66' ' ' ALA . 58.6 mt-10 -88.06 -174.42 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.729 ' HA ' ' HB2' ' A' ' 60' ' ' ALA . . . -36.4 155.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.58 124.15 41.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.7 mt -130.52 128.14 63.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -102.02 155.64 18.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -125.88 106.24 9.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.433 ' HB3' HG13 ' A' ' 83' ' ' VAL . 7.5 m-85 -98.6 103.53 15.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -74.72 119.54 19.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.2 mt -80.49 99.92 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -97.79 178.07 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -113.21 130.93 56.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.577 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -82.47 -174.88 5.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -61.28 -31.11 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.412 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 4.2 m -77.31 13.69 1.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.53 34.44 55.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.577 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 19.9 mm-40 -119.96 159.62 24.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.726 0.298 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -81.02 144.57 31.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.501 ' CD2' ' HB3' ' A' ' 76' ' ' ASN . 16.3 p90 -158.85 155.21 27.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.433 HG13 ' HB3' ' A' ' 71' ' ' TYR . 76.4 t -125.4 -53.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.26 2.32 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.498 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 2.2 mt-10 57.48 26.31 12.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -134.95 -32.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -123.87 129.9 51.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.801 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.449 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -117.92 168.92 10.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 25.2 m-85 -144.88 170.02 16.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.798 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -94.55 -17.29 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -137.86 147.29 44.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.707 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 13.1 mm -60.17 -48.06 95.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.622 0.725 . . . . 0.0 111.2 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.707 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.3 Cg_endo -69.92 0.73 5.34 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.627 2.218 . . . . 0.0 112.315 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -98.47 -39.95 8.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.6 tt -57.2 -35.34 69.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.433 HD13 HD23 ' A' ' 95' ' ' LEU . 8.8 mm -87.56 -20.52 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -52.93 -44.88 67.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.988 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -85.81 -52.15 5.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -38.84 -34.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -54.15 -53.62 50.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -74.72 -54.82 6.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -99.65 135.92 40.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.589 ' HB2' ' HB2' ' A' ' 109' ' ' ARG . . . -80.78 113.36 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.62 40.47 3.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -142.72 -149.25 5.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 108' ' ' THR . 4.5 mm? -66.88 76.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 106' ' ' LEU . 63.4 mtt 37.13 29.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.628 HG21 HG11 ' A' ' 56' ' ' VAL . 94.6 m -120.5 138.73 53.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.13 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.589 ' HB2' ' HB2' ' A' ' 103' ' ' ALA . 10.5 ttp180 -117.69 92.07 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.769 HD22 ' CG ' ' A' ' 41' ' ' PHE . 46.9 mt -32.52 109.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.441 ' NE ' ' O ' ' A' ' 38' ' ' GLU . 16.1 ptt180 -122.71 -32.01 3.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -109.19 83.68 2.47 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.683 0.754 . . . . 0.0 110.942 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.47 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.77 79.56 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.1 t -46.21 111.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.69 160.83 50.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 mt -39.82 -61.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 14.3 mtt -57.56 89.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -147.85 39.57 1.0 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.9 m -141.26 173.38 11.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.8 m -162.1 178.22 9.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.776 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -176.73 125.86 1.07 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.527 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -49.5 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.241 . . . . 0.0 112.35 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.1 t -164.47 128.32 2.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.3 m -129.69 109.89 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.5 t -89.78 99.3 12.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.949 0.404 . . . . 0.0 110.836 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -94.42 41.99 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.74 -162.21 1.71 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m 50.26 42.84 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.925 0.393 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 m -52.73 -59.02 4.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.35 -129.82 9.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.437 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -76.67 134.27 39.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.52 114.13 28.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.59 147.5 8.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.186 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 m -134.92 94.97 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.08 112.06 23.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.601 HD21 ' HD3' ' A' ' 93' ' ' PRO . 32.1 mt -116.5 -31.69 5.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -42.98 -40.88 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.502 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 37.0 pt -45.84 -39.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.502 ' CZ ' HD11 ' A' ' 15' ' ' ILE . 23.2 m-85 -75.09 164.34 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -102.95 -29.28 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.437 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 17.2 p-90 -71.49 -10.66 60.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.498 ' CG ' ' O ' ' A' ' 19' ' ' TYR . 3.8 t80 -87.93 74.49 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.496 ' CD2' HG22 ' A' ' 42' ' ' ILE . 11.4 m-70 -70.14 110.89 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.62 156.99 22.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.0 t30 69.79 39.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.502 HD11 ' HB3' ' A' ' 44' ' ' ARG . 11.4 pt -129.82 176.99 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.466 HG22 ' HG2' ' A' ' 27' ' ' GLN . 13.7 t -131.67 162.13 31.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.5 tpp85 -35.72 -52.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -53.03 -51.72 60.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.466 ' HG2' HG22 ' A' ' 24' ' ' THR . 15.8 mm100 -55.5 -53.58 54.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.08 -58.38 4.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -62.95 -60.46 3.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.438 ' O ' ' C ' ' A' ' 31' ' ' LEU . 34.5 t-80 -44.08 -63.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' HIS . 53.2 mt -35.41 -50.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.408 HD11 ' HB3' ' A' ' 55' ' ' SER . 24.7 mt -58.59 -51.21 70.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -41.42 -43.98 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -51.67 -40.44 60.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -73.51 -47.66 39.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.585 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 6.1 m 52.91 47.24 25.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.583 ' HD2' ' CD1' ' A' ' 112' ' ' TYR . 7.3 ptpp? -144.24 153.25 41.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -76.81 115.13 16.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 111' ' ' ARG . . . 137.52 -33.59 2.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 112' ' ' TYR . . . -50.53 132.04 25.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 111.058 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.782 ' CD2' HD13 ' A' ' 110' ' ' LEU . 9.4 p90 -153.58 158.77 41.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 41' ' ' PHE . 17.2 pt -158.16 156.8 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.46 HG22 HG12 ' A' ' 54' ' ' ILE . 67.1 t -120.2 108.5 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' HB3' HD11 ' A' ' 23' ' ' ILE . 7.7 ptm180 -98.11 164.29 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.53 134.65 40.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' LEU . 73.1 m -72.3 135.17 45.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -79.2 -45.68 19.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.3 p80 -52.83 -39.44 62.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 6.4 tp -154.88 178.06 10.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.53 45.68 1.57 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.57 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 m -95.63 179.58 5.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.908 0.385 . . . . 0.0 110.82 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.805 ' HB2' HD12 ' A' ' 73' ' ' ILE . 41.0 m-85 -140.18 139.06 35.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 71' ' ' TYR . 63.1 m -130.02 129.31 43.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.46 HG12 HG22 ' A' ' 43' ' ' VAL . 11.7 mt -92.44 146.53 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.206 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.408 ' HB3' HD11 ' A' ' 32' ' ' LEU . 18.2 m -132.11 100.42 5.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.534 HG22 ' CB ' ' A' ' 41' ' ' PHE . 28.9 t -99.34 150.92 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.585 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 28.8 t80 -98.66 120.82 39.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.421 ' CG ' ' HD3' ' A' ' 69' ' ' LYS . 10.8 mmt -89.56 -49.75 6.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.406 ' CA ' ' CE1' ' A' ' 57' ' ' PHE . . . 88.89 119.33 1.66 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.524 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.46 177.67 8.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -81.75 41.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.506 ' CG ' HG22 ' A' ' 64' ' ' THR . 12.4 tpt180 -175.0 152.27 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.1 t -71.12 -47.9 55.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.506 HG22 ' CG ' ' A' ' 62' ' ' ARG . 6.0 t -58.27 -18.25 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.091 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -114.06 161.38 17.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.55 150.2 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -120.71 134.47 55.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.5 mt -138.54 134.38 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.09 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 1.2 mptp? -101.72 164.54 11.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -138.11 105.03 5.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.587 ' O ' HG23 ' A' ' 53' ' ' THR . 4.7 m-85 -101.17 134.91 43.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -99.93 144.39 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.805 HD12 ' HB2' ' A' ' 52' ' ' TYR . 65.8 mt -108.21 110.97 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -118.12 165.14 14.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -112.68 131.28 55.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -82.63 -177.94 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -58.36 -30.39 66.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.407 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 1.5 t -80.71 16.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 49.56 51.36 27.92 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.641 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . 86.6 mt-30 -130.54 142.22 50.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -79.6 138.87 37.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.521 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 8.6 p90 -155.01 160.31 40.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.767 HG23 HD11 ' A' ' 95' ' ' LEU . 88.3 t -125.39 -50.17 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.627 ' HB2' ' CD2' ' A' ' 106' ' ' LEU . . . -78.1 1.79 20.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.521 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 2.3 mt-10 60.88 24.94 14.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -133.25 -32.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -115.32 116.67 28.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.641 ' HB1' ' CB ' ' A' ' 80' ' ' GLN . . . -106.78 142.11 36.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 54.3 m-85 -118.84 -175.67 2.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -110.02 -24.44 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 m -134.72 151.5 51.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.68 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 9.8 mm -59.73 -49.27 92.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.68 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.9 Cg_endo -69.71 -1.13 7.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 9.1 mt-10 -96.55 -38.98 9.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.767 HD11 HG23 ' A' ' 83' ' ' VAL . 1.3 tt -57.38 -38.17 73.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.589 HD13 HD23 ' A' ' 95' ' ' LEU . 17.0 mm -84.36 -24.92 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.412 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.2 t-105 -47.07 -44.84 21.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.487 ' O ' ' N ' ' A' ' 100' ' ' GLN . 4.8 m-85 -86.67 -54.59 4.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 98' ' ' TYR . 0.7 OUTLIER -34.38 -33.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 98' ' ' TYR . 30.5 mt-30 -64.89 -53.9 39.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 98' ' ' TYR . 3.5 m170 -64.96 -47.3 78.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -134.11 145.14 49.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 106' ' ' LEU . . . -81.72 93.64 6.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.525 ' O ' HD23 ' A' ' 106' ' ' LEU . . . -70.45 83.11 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 61.24 7.0 8.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.627 ' CD2' ' HB2' ' A' ' 84' ' ' ALA . 4.4 mm? -105.61 160.69 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.496 ' O ' ' C ' ' A' ' 108' ' ' THR . 3.2 tpp -55.96 -178.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.818 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.496 ' C ' ' O ' ' A' ' 107' ' ' MET . 67.9 m -30.23 137.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -63.87 171.15 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.782 HD13 ' CD2' ' A' ' 41' ' ' PHE . 9.2 mt -94.67 123.52 38.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.409 ' HG2' ' HA3' ' A' ' 39' ' ' GLY . 20.9 ptt180 -126.88 -23.9 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.583 ' CD1' ' HD2' ' A' ' 37' ' ' LYS . 14.0 m-85 -110.87 84.35 4.21 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.656 0.741 . . . . 0.0 110.972 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.454 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 54.1 Cg_endo -69.73 79.75 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.615 2.21 . . . . 0.0 112.325 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 69.4 t -37.93 121.62 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.76 163.4 40.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 117' ' ' MET . 12.6 mt -72.47 -60.21 2.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.778 0.323 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 116' ' ' LEU . 11.1 ptp -34.46 -49.61 0.4 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.437 ' N ' ' HG3' ' A' ' 117' ' ' MET . . . 34.36 44.18 0.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.451 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 m -68.72 129.27 39.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.94 0.4 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.3 t -127.02 -62.63 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 172.95 124.65 0.79 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.71 -49.21 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.292 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -173.29 179.56 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.1 t -144.64 175.44 10.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.817 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -63.82 -61.09 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.397 . . . . 0.0 110.828 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -85.84 -45.35 11.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.884 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.99 76.05 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -137.03 105.09 5.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.926 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -174.69 142.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.37 96.79 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.428 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -174.72 125.12 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.382 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -174.11 150.36 1.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.8 mt -50.75 140.38 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 m -116.63 83.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -104.22 128.08 51.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 35.0 mt -110.69 -26.36 9.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -45.49 -41.44 9.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 16' ' ' TYR . 45.3 pt -49.19 -35.48 8.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.039 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 44.3 m-85 -74.35 167.97 20.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -105.55 -30.31 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.41 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 10.0 p-90 -75.28 4.91 6.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.575 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 12.8 t80 -108.24 78.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.584 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 23.8 m-70 -77.45 90.33 3.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.804 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 4.5 ptm180 -84.09 -39.08 19.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 49.7 t-20 -83.51 59.41 5.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 20' ' ' HIS . 8.1 pt -150.06 176.59 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.553 HG22 ' HG2' ' A' ' 27' ' ' GLN . 13.6 t -133.62 165.67 24.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 24' ' ' THR . 10.3 ttp-105 -33.66 -58.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -50.39 -62.57 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.553 ' HG2' HG22 ' A' ' 24' ' ' THR . 14.4 mm100 -41.27 -53.59 3.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.38 -63.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -58.91 -59.57 5.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' LEU . 10.6 t-80 -43.7 -65.67 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' HIS . 71.0 mt -34.73 -52.03 0.51 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 35' ' ' GLU . 80.3 mt -59.32 -51.35 70.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -39.38 -48.96 1.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -54.4 -39.09 66.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HG3' HG22 ' A' ' 114' ' ' VAL . 4.8 mm-40 -67.45 -47.73 69.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 9.8 t 46.28 54.66 8.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.461 ' CD ' ' CD2' ' A' ' 112' ' ' TYR . 10.1 ptpt -155.23 123.39 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -45.71 121.55 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.42 -40.89 1.68 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.19 106.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.63 ' O ' HG23 ' A' ' 42' ' ' ILE . 6.5 p90 -130.97 164.02 26.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 41' ' ' PHE . 7.8 pt -161.51 160.56 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.075 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.441 HG22 HG12 ' A' ' 54' ' ' ILE . 61.1 t -120.33 105.45 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.134 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.499 ' HB3' HD11 ' A' ' 23' ' ' ILE . 33.3 ptt85 -100.39 166.24 11.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.47 152.13 22.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' HIS . 28.4 m -89.36 85.01 6.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' SER . 6.0 mmm180 -35.89 -30.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.634 ' NE2' HD12 ' A' ' 49' ' ' LEU . 3.2 t60 -64.12 -63.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.634 HD12 ' NE2' ' A' ' 48' ' ' HIS . 12.6 mt -135.56 -174.86 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.04 49.0 2.12 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.4 t -108.61 -178.66 3.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.382 . . . . 0.0 110.816 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CB ' HD12 ' A' ' 73' ' ' ILE . 59.7 m-85 -134.79 144.48 47.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.0 m -133.83 139.82 46.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.441 HG12 HG22 ' A' ' 43' ' ' VAL . 20.3 mt -107.24 143.37 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 m -125.4 100.36 6.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.8 t -95.22 136.21 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 50.3 t80 -85.19 94.24 8.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ALA . 4.8 mtt -65.42 -48.18 73.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.578 ' N ' ' HB3' ' A' ' 67' ' ' ALA . . . 90.48 140.79 8.68 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 65' ' ' GLU . . . -69.38 177.31 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.113 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 62' ' ' ARG . 12.4 mmt180 -81.51 94.95 6.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ARG . 15.8 mmt180 37.93 45.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.2 m -135.38 162.55 32.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.1 p -59.92 -24.1 64.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 60' ' ' ALA . 33.9 mt-10 -57.08 178.25 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.445 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -142.64 147.32 35.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.578 ' HB3' ' N ' ' A' ' 59' ' ' GLY . . . -125.2 123.45 39.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.6 mt -132.79 126.86 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -103.04 158.8 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.805 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -124.4 110.39 14.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.493 ' HB3' HG13 ' A' ' 83' ' ' VAL . 6.7 m-85 -104.29 116.66 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -84.43 120.08 25.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.41 HD12 ' CB ' ' A' ' 52' ' ' TYR . 80.2 mt -77.51 100.05 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.189 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -97.3 177.51 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -117.12 131.59 56.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.476 ' OD1' ' N ' ' A' ' 78' ' ' SER . 35.1 p30 -74.95 -174.97 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -67.48 -33.07 74.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.476 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 1.8 m -72.41 -10.04 59.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . 84.9 33.66 17.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -117.75 158.96 23.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.773 0.32 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -82.35 145.04 30.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -158.29 153.71 25.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.755 HG23 HD11 ' A' ' 95' ' ' LEU . 87.0 t -121.54 -51.73 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.408 ' CB ' ' HA3' ' A' ' 105' ' ' GLY . . . -84.06 15.61 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.05 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 44.72 28.5 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -133.35 -32.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -126.36 124.33 40.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.403 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -111.71 168.84 9.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.58 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 28.3 m-85 -143.26 170.38 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -94.96 -17.67 21.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -138.85 149.24 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.702 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 11.7 mm -60.3 -47.95 95.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.702 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.76 0.53 5.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 16.7 mm-40 -97.91 -39.75 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.755 HD11 HG23 ' A' ' 83' ' ' VAL . 2.0 tt -57.73 -35.85 71.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.602 HG23 ' CD1' ' A' ' 110' ' ' LEU . 22.3 mm -85.81 -21.21 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.062 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.408 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 20.5 t-105 -52.39 -52.38 53.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -85.31 -51.28 6.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.516 ' CD2' ' HB3' ' A' ' 104' ' ' ALA . 1.6 m80 -41.07 -38.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -39.8 -44.57 1.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -98.48 -37.65 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.03 127.05 35.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.731 ' HB2' ' HE ' ' A' ' 109' ' ' ARG . . . -78.84 45.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.062 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.516 ' HB3' ' CD2' ' A' ' 99' ' ' HIS . . . -34.07 115.63 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.408 ' HA3' ' CB ' ' A' ' 84' ' ' ALA . . . 76.8 -93.18 1.04 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.46 -175.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -101.62 -43.57 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 85.5 m -65.0 136.78 57.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.731 ' HE ' ' HB2' ' A' ' 103' ' ' ALA . 13.6 mtm180 -114.8 168.23 10.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.61 HD13 ' CE2' ' A' ' 41' ' ' PHE . 7.1 mt -88.19 113.38 23.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.7 mtt-85 -114.54 -49.8 2.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.461 ' CD2' ' CD ' ' A' ' 37' ' ' LYS . 9.7 m-85 -104.59 93.32 5.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.66 0.743 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.71 80.47 0.86 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.371 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.485 HG22 ' HG3' ' A' ' 35' ' ' GLU . 59.1 t -34.18 124.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.99 161.93 44.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.584 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.5 mt -62.85 -60.25 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.457 ' C ' ' O ' ' A' ' 116' ' ' LEU . 9.3 mmt -34.12 -63.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 48.52 -101.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.3 p -174.58 142.31 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.92 0.391 . . . . 0.0 110.83 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 t -174.98 152.91 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -152.65 83.41 0.16 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.548 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 119.12 6.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.771 2.314 . . . . 0.0 112.304 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -128.94 123.64 33.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 t -152.46 124.36 7.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.448 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.594 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 59.1 mt -113.93 -35.42 5.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -45.86 -35.01 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 16' ' ' TYR . 40.5 pt -53.67 -37.3 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.464 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 63.2 m-85 -73.92 -176.15 2.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.515 ' O ' HD12 ' A' ' 116' ' ' LEU . 4.6 pt-20 -116.62 -39.53 3.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.412 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 12.4 p-90 -65.22 -5.29 6.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 16.6 t80 -96.69 82.94 3.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.55 ' HB3' HD13 ' A' ' 23' ' ' ILE . 24.5 m-70 -77.43 100.94 6.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -98.83 161.89 13.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m120 62.39 43.25 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.607 HD11 ' HB3' ' A' ' 44' ' ' ARG . 9.7 pt -131.7 174.75 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.525 HG22 ' HG2' ' A' ' 27' ' ' GLN . 15.3 t -133.7 165.78 24.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' THR . 15.7 ttp180 -34.21 -58.81 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -47.22 -51.48 18.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.525 ' HG2' HG22 ' A' ' 24' ' ' THR . 19.9 mm100 -55.53 -60.04 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.66 -62.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.86 -60.39 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -37.59 -54.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.427 HD13 ' CE1' ' A' ' 20' ' ' HIS . 42.3 mt -50.63 -50.41 54.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.595 HD21 HG12 ' A' ' 42' ' ' ILE . 52.4 mt -61.08 -46.87 88.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -46.26 -39.79 10.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -59.15 -44.59 92.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.502 ' OE2' ' CE ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -70.98 -45.58 63.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.548 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 43.1 p 43.14 48.38 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.569 ' HD2' ' CD1' ' A' ' 112' ' ' TYR . 11.8 pttt -146.69 123.16 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -40.36 119.76 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.61 -40.0 1.88 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.47 104.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.646 ' CB ' HG22 ' A' ' 56' ' ' VAL . 6.2 p90 -125.43 167.4 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.678 HG23 ' HB ' ' A' ' 114' ' ' VAL . 5.0 pt -159.81 175.19 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.449 HG22 HG12 ' A' ' 54' ' ' ILE . 95.7 t -140.02 123.53 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.607 ' HB3' HD11 ' A' ' 23' ' ' ILE . 6.9 ptm180 -130.71 173.78 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.87 155.92 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' HIS . 0.8 OUTLIER -93.86 93.82 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.2 tpm_? -37.45 -26.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.614 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -74.31 -54.01 8.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.614 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 10.4 tp -131.31 166.63 20.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -73.58 45.86 1.31 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -108.29 -177.04 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -133.41 137.09 45.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.8 m -120.62 140.36 51.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.449 HG12 HG22 ' A' ' 43' ' ' VAL . 26.6 mt -100.53 125.0 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.12 108.54 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.646 HG22 ' CB ' ' A' ' 41' ' ' PHE . 29.0 t -110.23 155.54 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.548 ' CE2' ' HA ' ' A' ' 36' ' ' SER . 63.1 t80 -103.35 110.95 23.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' ALA . 7.0 mmt -81.88 -37.5 26.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.571 ' N ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.403 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.774 0.321 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.571 ' HB3' ' N ' ' A' ' 59' ' ' GLY . . . -143.34 127.12 17.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.42 ' CG2' HD12 ' A' ' 32' ' ' LEU . 20.8 mt -132.49 127.03 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -102.12 163.29 12.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -134.11 104.74 6.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.801 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.638 ' HB3' HG13 ' A' ' 83' ' ' VAL . 17.9 m-85 -98.01 102.16 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.61 126.46 29.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.529 HG12 HG22 ' A' ' 83' ' ' VAL . 69.8 mt -87.32 109.29 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -99.76 174.92 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.429 ' CG ' ' HA2' ' A' ' 79' ' ' GLY . 23.3 ttpp -129.72 142.91 50.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.947 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -98.9 -178.72 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -31.92 61.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.405 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 3.2 m -79.6 14.06 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.429 ' HA2' ' CG ' ' A' ' 75' ' ' LYS . . . 50.66 42.73 45.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.527 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.528 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 67.5 mt-30 -116.38 135.92 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.417 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 72.1 m95 -80.07 138.7 37.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 3.9 p90 -150.14 142.68 24.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.974 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.638 HG13 ' HB3' ' A' ' 71' ' ' TYR . 77.9 t -108.02 -43.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.69 9.05 28.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 14.0 tt0 50.97 25.97 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -131.26 -32.19 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -120.27 109.81 15.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -99.63 138.67 36.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 72.2 m-85 -113.89 -176.1 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -106.82 -21.43 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -139.69 150.9 45.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.709 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 16.0 mm -58.63 -48.38 96.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.607 0.718 . . . . 0.0 111.087 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.709 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.65 -2.73 10.59 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.411 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 9.1 mt-10 -95.93 -37.06 10.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.634 HD11 HG23 ' A' ' 83' ' ' VAL . 2.5 tt -59.99 -37.56 80.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.3 mm -85.97 -17.93 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.405 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.0 t-105 -54.52 -44.26 72.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 99' ' ' HIS . 9.0 m-85 -87.33 -52.71 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 98' ' ' TYR . 6.6 m-70 -34.9 -47.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -47.49 -46.68 27.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 98' ' ' TYR . 7.3 m-70 -76.49 -36.83 57.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.3 p30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.5 ttm180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.878 0.371 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.487 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 23.5 mt -35.24 122.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.404 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 83.9 mtt180 -114.68 -52.52 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.569 ' CD1' ' HD2' ' A' ' 37' ' ' LYS . 27.9 m-85 -104.83 92.02 4.8 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.694 0.759 . . . . 0.0 110.993 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.472 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 53.9 Cg_endo -69.76 79.93 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.238 . . . . 0.0 112.349 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.678 ' HB ' HG23 ' A' ' 42' ' ' ILE . 66.0 t -47.94 113.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -101.49 162.74 17.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 17' ' ' GLU . 10.0 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.9 p30 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.835 0.35 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.534 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 58.3 mt -109.26 -34.05 6.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -47.18 -35.14 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 16' ' ' TYR . 31.6 pt -51.23 -34.23 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.486 ' N ' HG13 ' A' ' 15' ' ' ILE . 62.9 m-85 -74.22 -174.94 2.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.87 -34.29 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.432 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 8.7 p-90 -73.92 3.32 6.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 18.5 t80 -106.91 87.99 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.935 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 23.2 m-70 -86.17 95.51 9.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 8.5 ptm180 -90.37 -43.5 10.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -75.78 54.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' A' ' 20' ' ' HIS . 7.2 pt -148.85 172.28 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 t -129.38 165.39 21.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -37.3 -50.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -55.53 -54.45 43.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -52.1 -57.04 10.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.41 -64.42 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.478 ' HG2' HG21 ' A' ' 68' ' ' ILE . 16.1 mt-10 -56.5 -59.13 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.463 ' CD2' ' NE2' ' A' ' 34' ' ' GLN . 44.1 t60 -43.33 -65.8 0.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' HIS . 74.1 mt -34.29 -54.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.67 HD22 ' HB1' ' A' ' 40' ' ' ALA . 39.4 mt -62.56 -48.07 81.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.62 ' CD ' ' HB3' ' A' ' 66' ' ' ALA . 52.3 mmm-85 -47.54 -49.4 26.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.463 ' NE2' ' CD2' ' A' ' 30' ' ' HIS . 33.5 mt-30 -56.55 -46.35 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -62.46 -46.88 86.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 5.4 t 51.83 51.91 15.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -144.18 115.32 7.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -39.28 150.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . 99.31 -44.35 1.69 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.67 ' HB1' HD22 ' A' ' 32' ' ' LEU . . . -33.44 104.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 111.094 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 113' ' ' PRO . 1.4 p90 -133.45 131.91 40.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.6 pt -136.75 146.19 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.781 HG22 HG12 ' A' ' 54' ' ' ILE . 70.8 t -101.7 99.0 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -91.83 164.39 13.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -92.04 137.43 32.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.798 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.2 m -77.49 136.15 38.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -84.26 -46.16 12.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -50.44 -32.95 19.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.497 ' HG ' ' N ' ' A' ' 50' ' ' GLY . 52.3 tp -162.8 171.11 17.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.497 ' N ' ' HG ' ' A' ' 49' ' ' LEU . . . -72.7 46.69 1.14 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.503 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -97.38 -176.98 3.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -130.72 130.88 44.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -131.72 138.08 48.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.781 HG12 HG22 ' A' ' 43' ' ' VAL . 17.5 mt -102.88 144.21 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.409 ' O ' HD11 ' A' ' 32' ' ' LEU . 3.4 m -119.61 99.94 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.33 150.01 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.574 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 56.5 t80 -101.62 117.79 35.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.416 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 4.1 mmt -79.05 -51.29 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.795 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.574 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.62 ' HB3' ' CD ' ' A' ' 33' ' ' ARG . . . . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.851 0.358 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.416 ' HB3' ' HB2' ' A' ' 58' ' ' MET . . . -130.41 128.09 40.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.478 HG21 ' HG2' ' A' ' 29' ' ' GLU . 20.7 mt -133.63 127.43 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -102.62 158.82 15.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -124.03 104.74 9.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -99.41 108.35 20.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -85.01 125.66 32.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.466 HD11 HD11 ' A' ' 54' ' ' ILE . 73.3 mt -81.9 112.58 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -97.78 179.33 4.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.428 ' NZ ' ' CE2' ' A' ' 81' ' ' TRP . 8.4 ttmm -126.49 140.51 52.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.443 ' C ' ' OD1' ' A' ' 76' ' ' ASN . 24.7 p-10 -88.84 -175.1 4.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.78 -30.19 69.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -85.21 19.38 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.09 51.03 58.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.622 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 68.4 mt-30 -125.0 137.67 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.883 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.442 ' HE3' HG22 ' A' ' 73' ' ' ILE . 91.7 m95 -79.89 142.81 34.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.443 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.9 p90 -158.3 157.13 31.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.97 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.452 ' CG2' HG12 ' A' ' 73' ' ' ILE . 39.0 t -121.12 -46.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.175 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.83 16.49 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 45.27 26.49 0.27 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -130.19 -31.13 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -120.25 113.8 20.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.762 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.622 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -107.06 139.08 42.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.517 ' CG ' ' HA ' ' A' ' 95' ' ' LEU . 86.4 m-85 -117.23 -175.39 2.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -106.65 -24.46 12.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.3 m -136.73 150.2 48.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.713 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 19.7 mm -59.48 -47.9 96.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.595 0.712 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.713 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.6 Cg_endo -69.77 -5.16 15.54 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 0.1 OUTLIER -93.36 -39.95 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.597 HD23 HD13 ' A' ' 96' ' ' ILE . 1.5 tt -55.92 -38.79 70.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.597 HD13 HD23 ' A' ' 95' ' ' LEU . 17.8 mm -83.83 -28.27 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.403 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.9 t-105 -43.33 -44.75 5.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.589 ' CE2' ' ND2' ' A' ' 102' ' ' ASN . 9.0 t80 -91.17 -52.72 4.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.574 ' HB3' HD12 ' A' ' 110' ' ' LEU . 2.0 t-80 -36.99 -35.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.447 ' HG3' HG22 ' A' ' 96' ' ' ILE . 21.2 mt-30 -53.27 -48.29 68.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -103.98 39.76 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.589 ' ND2' ' CE2' ' A' ' 98' ' ' TYR . 58.5 m-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.769 0.319 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' A' ' 99' ' ' HIS . 12.3 mt -85.17 77.99 9.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 39' ' ' GLY . 31.8 ptt180 -115.9 164.57 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.435 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 3.0 m-85 61.94 55.02 2.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.742 0.782 . . . . 0.0 110.979 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.74 88.39 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.7 t -42.29 129.97 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -81.18 161.89 43.74 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.576 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 11.9 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.914 0.388 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.644 HD21 ' HD3' ' A' ' 93' ' ' PRO . 94.3 mt -109.09 -32.98 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -44.43 -42.81 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.481 HG13 ' N ' ' A' ' 16' ' ' TYR . 41.6 pt -40.93 -35.02 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.481 ' N ' HG13 ' A' ' 15' ' ' ILE . 57.8 m-85 -78.72 179.41 7.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -113.74 -32.19 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.479 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 11.2 p-90 -72.35 0.98 8.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.531 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 14.6 t80 -106.3 84.63 2.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.627 ' HB3' HG21 ' A' ' 23' ' ' ILE . 27.3 m-70 -82.72 91.36 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.514 ' HD2' ' CE2' ' A' ' 19' ' ' TYR . 4.4 ptm180 -85.28 -48.33 9.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -76.36 59.83 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' A' ' 44' ' ' ARG . 9.3 pt -147.31 176.41 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' ARG . 10.2 t -130.86 161.53 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.133 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' THR . 11.5 ttp180 -35.29 -47.18 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -59.43 -60.84 3.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -41.08 -52.64 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.659 ' HB2' ' HD2' ' A' ' 44' ' ' ARG . . . -47.23 -63.53 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -57.3 -56.34 23.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' LEU . 83.4 t60 -47.26 -67.4 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' HIS . 52.5 mt -34.62 -43.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.98 -49.34 65.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 30' ' ' HIS . 20.0 mmm-85 -42.02 -54.41 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -48.2 -42.9 31.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 17.5 mm-40 -65.95 -49.19 68.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 p 45.44 54.44 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.587 ' HE3' ' CE2' ' A' ' 112' ' ' TYR . 6.9 ptmt -157.13 108.8 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 37' ' ' LYS . 10.3 tt0 -34.39 117.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.69 -37.84 1.74 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.43 117.21 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 111.083 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.649 ' O ' HG23 ' A' ' 42' ' ' ILE . 3.0 p90 -135.32 160.89 37.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 41' ' ' PHE . 15.9 pt -162.11 153.88 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.432 HG22 HG12 ' A' ' 54' ' ' ILE . 96.0 t -116.66 105.19 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.763 ' HB3' HD11 ' A' ' 23' ' ' ILE . 8.3 ptm180 -108.31 164.74 12.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -95.89 134.78 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 48' ' ' HIS . 1.9 t -66.48 95.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.789 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.5 ttm180 -37.86 -26.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.591 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -72.58 -61.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.591 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 56.7 tp -123.63 166.91 14.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' HG ' ' A' ' 49' ' ' LEU . . . -74.16 43.77 1.28 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.467 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 t -101.44 -177.19 3.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.943 0.401 . . . . 0.0 110.821 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.544 ' CB ' HD12 ' A' ' 73' ' ' ILE . 61.6 m-85 -128.83 153.22 47.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 71' ' ' TYR . 36.4 m -150.79 130.13 12.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.432 HG12 HG22 ' A' ' 43' ' ' VAL . 23.0 mt -92.81 121.99 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 m -105.72 102.5 11.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.504 HG22 ' CB ' ' A' ' 41' ' ' PHE . 25.0 t -103.15 152.4 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.404 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 45.0 t80 -97.75 110.23 22.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.471 ' HG3' ' CE ' ' A' ' 69' ' ' LYS . 4.6 mmt -76.46 -56.94 4.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.716 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.438 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.836 0.351 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.716 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -151.4 126.91 10.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.8 mt -137.08 132.18 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.551 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 11.1 mptt -104.09 158.22 16.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -126.79 106.74 9.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 4.8 m-85 -103.44 108.02 19.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -81.2 123.17 28.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.544 HD12 ' CB ' ' A' ' 52' ' ' TYR . 34.6 mt -78.04 105.91 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -100.17 175.21 5.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.572 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 1.3 ttmp? -124.43 139.26 54.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -92.5 -177.45 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.867 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -55.63 -32.13 62.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.403 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 2.2 m -81.1 16.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.475 ' HA2' ' CD ' ' A' ' 75' ' ' LYS . . . 48.27 39.19 20.43 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.546 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.505 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 75.7 mt-30 -111.99 145.03 40.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.572 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 72.3 m95 -82.57 131.44 35.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.442 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 21.2 p90 -145.53 159.67 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.74 HG23 HD11 ' A' ' 95' ' ' LEU . 85.4 t -127.96 -51.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.224 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.82 5.2 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 2.3 mt-10 56.56 24.98 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -134.06 -32.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -117.92 123.75 46.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -117.15 141.97 47.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 14.2 m-85 -119.09 -177.96 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -103.79 -23.78 13.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.5 m -132.59 148.95 52.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.707 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 13.1 mm -58.79 -48.44 96.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.592 0.711 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.707 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.8 Cg_endo -69.7 0.45 5.58 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.736 2.291 . . . . 0.0 112.393 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -98.61 -37.93 9.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.74 HD11 HG23 ' A' ' 83' ' ' VAL . 1.6 tt -59.76 -37.43 78.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.682 HG23 HD12 ' A' ' 110' ' ' LEU . 12.2 mm -87.65 -15.62 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -56.94 -46.59 81.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -86.2 -49.82 7.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -41.49 -42.58 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -52.66 -39.83 62.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -85.21 -38.2 19.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.859 0.361 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.682 HD12 HG23 ' A' ' 96' ' ' ILE . 14.1 mt -63.03 116.75 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.461 ' HG3' ' CD1' ' A' ' 112' ' ' TYR . 4.3 ptp180 -122.32 -37.47 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.587 ' CE2' ' HE3' ' A' ' 37' ' ' LYS . 11.7 m-85 -107.79 83.82 1.8 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.766 0.793 . . . . 0.0 110.963 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 79.66 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.642 2.228 . . . . 0.0 112.381 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.457 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 94.8 t -38.05 118.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.18 164.3 54.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.573 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.6 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.5 t30 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.784 0.326 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.589 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 22.0 mt -102.98 -31.24 10.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -44.63 -45.28 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.524 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 43.4 pt -41.36 -34.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.601 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 19.9 m-85 -81.1 170.46 16.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -106.19 -37.38 6.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.43 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 14.3 p-90 -63.56 -17.01 62.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.589 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 10.1 t80 -84.6 75.97 10.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -66.44 93.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 42.6 ptt85 -92.0 152.77 19.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.9 t30 74.15 41.5 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.2 pt -134.47 177.9 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' ARG . 10.1 t -136.42 163.89 29.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' THR . 56.6 ttp180 -34.28 -55.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -49.55 -55.29 13.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -54.24 -58.72 6.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.2 -58.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.636 ' HA ' HD12 ' A' ' 32' ' ' LEU . 24.1 mt-10 -60.73 -57.13 14.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -41.31 -66.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.3 mt -37.87 -42.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.638 HD11 ' HB3' ' A' ' 55' ' ' SER . 9.5 mt -71.33 -50.71 29.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -50.88 -39.93 55.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -60.0 -47.46 85.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.46 -51.82 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 m 61.81 42.39 10.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.533 ' HE2' ' CG ' ' A' ' 112' ' ' TYR . 5.2 pttm -139.31 110.04 6.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 37' ' ' LYS . 52.5 tt0 -37.5 145.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 40' ' ' ALA . . . 104.0 -50.16 0.89 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . -33.01 116.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 111.08 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 42' ' ' ILE . 8.2 p90 -133.3 161.12 35.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 41' ' ' PHE . 24.9 pt -160.41 153.25 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -116.19 109.55 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.502 HH12 ' CE1' ' A' ' 70' ' ' HIS . 17.4 ptt180 -95.79 166.58 11.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.805 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -100.91 117.09 34.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.797 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.3 m -56.48 129.7 41.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 48' ' ' HIS . 6.7 ppt_? -78.52 -39.57 37.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.4 p80 -57.76 -38.48 75.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.577 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 4.1 tp -156.76 177.09 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.58 44.51 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.543 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 m -96.21 -178.96 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.845 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -138.42 153.39 48.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.922 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.2 m -146.3 132.72 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.8 mt -95.78 126.85 48.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.638 ' HB3' HD11 ' A' ' 32' ' ' LEU . 4.7 m -111.2 97.18 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.577 HG22 ' CB ' ' A' ' 41' ' ' PHE . 37.5 t -97.33 152.87 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.411 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 56.2 t80 -100.46 116.73 33.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.3 mmt -88.04 -59.52 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.463 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.848 0.356 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -156.19 136.21 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.5 mt -137.74 132.5 44.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 2.7 mptm? -102.19 160.15 14.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.502 ' CE1' HH12 ' A' ' 44' ' ' ARG . 95.9 m-70 -132.49 105.78 7.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 4.5 m-85 -104.21 103.95 13.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -78.09 112.29 14.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.497 HG12 HG22 ' A' ' 83' ' ' VAL . 33.1 mt -74.34 107.27 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -96.45 175.58 6.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -128.21 145.75 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.475 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -100.73 -175.66 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -31.9 66.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.414 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 3.0 m -81.3 19.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 46.19 41.06 10.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.481 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 44.8 mt-30 -113.37 135.55 53.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -81.91 131.63 35.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 20.3 p90 -144.18 149.92 37.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.72 HG23 HD11 ' A' ' 95' ' ' LEU . 98.2 t -112.84 -52.29 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.211 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.15 17.95 2.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 14.5 tt0 43.39 27.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -130.89 -30.85 1.77 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -121.27 108.68 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -99.24 135.7 40.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 80.8 m-85 -111.79 -174.97 2.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.795 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -105.69 -28.11 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 m -136.04 152.49 50.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.71 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.6 mm -58.71 -48.25 97.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.66 0.743 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.71 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.1 Cg_endo -69.73 -2.84 10.85 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.268 . . . . 0.0 112.344 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -94.64 -40.46 9.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.72 HD11 HG23 ' A' ' 83' ' ' VAL . 2.9 tt -58.09 -37.55 74.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.566 HD13 HD23 ' A' ' 95' ' ' LEU . 11.6 mm -85.5 -19.71 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.416 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.5 t-105 -53.62 -48.05 69.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -83.4 -49.23 9.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -37.86 -36.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.846 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -57.3 -62.12 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -65.36 -49.65 68.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 110' ' ' LEU . 16.3 ttp180 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.833 0.349 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.551 HD13 ' CZ ' ' A' ' 41' ' ' PHE . 24.8 mt -33.48 116.89 0.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.409 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 0.1 OUTLIER -107.21 -56.58 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.533 ' CG ' ' HE2' ' A' ' 37' ' ' LYS . 11.8 m-85 -103.15 95.47 6.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.651 0.739 . . . . 0.0 110.915 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 112' ' ' TYR . 54.0 Cg_endo -69.71 79.58 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.61 2.207 . . . . 0.0 112.384 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.424 HG21 ' HB1' ' A' ' 40' ' ' ALA . 96.3 t -49.01 113.95 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -106.57 169.47 15.36 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 115' ' ' GLY . 11.0 mp . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 21.3 mt -108.84 -29.81 8.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -49.33 -37.62 25.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 16' ' ' TYR . 12.2 pt -53.41 -29.75 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.486 ' N ' HG13 ' A' ' 15' ' ' ILE . 61.5 m-85 -83.79 -179.95 7.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -113.22 -36.23 5.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 11.5 p-90 -67.89 -2.98 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 19.8 t80 -97.87 84.05 3.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -78.49 97.89 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.801 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 12.3 ptm180 -104.84 160.05 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.8 t30 64.97 43.27 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.414 HD11 ' HB3' ' A' ' 44' ' ' ARG . 14.9 pt -126.48 178.42 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -128.22 159.55 34.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -38.77 -42.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -60.87 -46.1 91.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -59.09 -55.1 39.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.14 -61.54 1.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -63.05 -58.39 7.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -39.41 -58.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.2 mt -44.32 -54.32 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.39 -50.26 74.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -41.85 -44.71 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -59.23 -46.14 89.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -40.91 91.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.402 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 71.3 m 45.01 44.31 8.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.816 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.588 ' HE3' ' CE2' ' A' ' 112' ' ' TYR . 1.9 ptmt -150.47 146.16 26.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -65.21 139.39 58.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.53 -44.67 1.43 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.22 119.6 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.492 ' O ' HG23 ' A' ' 42' ' ' ILE . 4.4 p90 -144.9 159.64 42.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 41' ' ' PHE . 12.0 pt -157.41 165.02 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.48 HG22 HG12 ' A' ' 54' ' ' ILE . 87.8 t -123.18 113.52 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.414 ' HB3' HD11 ' A' ' 23' ' ' ILE . 31.5 ptt180 -108.98 159.55 16.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.98 138.95 30.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' LEU . 74.5 m -74.44 134.75 42.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -79.18 -42.77 25.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.3 p80 -55.78 -36.69 67.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.517 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 7.2 tp -158.45 176.89 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.42 47.05 1.68 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.471 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 t -99.79 -177.75 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.965 0.412 . . . . 0.0 110.802 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CB ' HD12 ' A' ' 73' ' ' ILE . 93.1 m-85 -133.49 147.1 51.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.1 m -142.52 128.11 19.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.48 HG12 HG22 ' A' ' 43' ' ' VAL . 18.3 mt -93.26 146.98 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.6 m -129.35 106.89 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.799 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.496 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 18.4 t -103.99 157.36 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.719 ' HE1' ' HB1' ' A' ' 66' ' ' ALA . 72.1 t80 -103.15 107.57 18.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.4 mmt -74.61 -56.39 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.488 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.719 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.792 0.33 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.488 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -122.23 130.21 52.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.5 mt -133.93 129.79 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -101.46 169.6 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -141.04 105.46 4.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.477 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 10.7 m-85 -98.86 117.55 33.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -87.42 111.74 21.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.484 HD12 ' CB ' ' A' ' 52' ' ' TYR . 55.1 mt -68.73 105.81 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -97.87 174.14 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.528 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 14.7 ttmt -128.29 131.52 48.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 76' ' ' ASN . 40.5 p30 -77.75 179.19 6.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.48 -33.49 69.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -72.82 -11.96 60.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.17 35.28 21.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -107.63 139.81 41.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.528 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 79.8 m95 -79.87 123.16 27.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 p90 -144.34 148.46 34.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.954 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.596 HG23 HD11 ' A' ' 95' ' ' LEU . 84.2 t -118.25 -51.48 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 86' ' ' ARG . . . -83.17 23.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 84' ' ' ALA . 1.1 pp20? 33.11 32.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 84' ' ' ALA . 17.7 mmt180 -134.06 -26.62 1.49 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -131.5 108.36 9.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -98.53 140.56 32.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.533 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 32.6 m-85 -121.37 -178.85 3.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -106.47 -24.82 12.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.1 m -130.6 149.24 52.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.713 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.6 mm -59.34 -48.04 96.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 111.192 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.713 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.76 1.48 4.4 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.692 2.262 . . . . 0.0 112.398 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 7.0 mm-40 -99.61 -40.22 7.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -57.66 -34.94 69.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.4 mm -86.86 -19.87 7.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.412 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.8 t-105 -53.93 -41.1 67.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -90.37 -44.57 9.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -43.32 -36.69 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -66.08 -51.65 56.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -63.3 -40.56 97.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 37.0 ttp85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.792 0.33 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 12.6 mt -50.35 101.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -116.43 -30.01 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.588 ' CE2' ' HE3' ' A' ' 37' ' ' LYS . 23.3 m-85 -111.76 82.9 4.2 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.701 0.762 . . . . 0.0 110.855 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 79.68 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.613 2.209 . . . . 0.0 112.409 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.413 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 41.2 t -42.53 105.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.88 163.67 50.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.531 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.6 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.738 0.304 . . . . 0.0 110.92 -179.926 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.875 0.369 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 86.7 mt -115.6 -35.78 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.491 ' OE2' ' CZ ' ' A' ' 21' ' ' ARG . 4.0 mt-10 -49.66 -39.96 38.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 16' ' ' TYR . 31.9 pt -49.57 -32.81 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.473 ' N ' HG13 ' A' ' 15' ' ' ILE . 43.8 m-85 -79.77 179.39 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -113.55 -38.89 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.7 p-90 -65.01 -5.53 6.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 27.4 t80 -97.17 82.5 3.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 19.4 m-70 -79.75 87.1 5.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 11.4 ptt180 -89.42 165.45 14.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.8 t30 62.46 40.92 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.793 HD11 ' HE ' ' A' ' 44' ' ' ARG . 15.2 pt -128.86 174.62 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.137 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.1 p -119.2 179.0 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -37.36 76.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -68.55 -41.43 79.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -57.78 -54.72 43.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.34 -64.52 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -54.74 -56.16 22.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -42.65 -64.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.1 mt -39.98 -46.15 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD21 HG12 ' A' ' 42' ' ' ILE . 51.0 mt -64.73 -56.98 10.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' LEU . 52.4 mmm-85 -36.9 -49.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.821 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -52.16 -43.84 64.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LEU . 3.2 mm-40 -68.98 -51.89 34.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 89.2 p 52.29 54.79 10.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HG2' ' HB3' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -157.62 125.37 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -41.12 144.42 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 41' ' ' PHE . . . 108.61 -46.96 1.09 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.48 96.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.633 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -123.71 132.02 53.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.708 ' O ' HG23 ' A' ' 54' ' ' ILE . 1.1 pt -127.83 165.12 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.944 HG22 HG12 ' A' ' 54' ' ' ILE . 22.8 t -140.55 133.19 32.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.053 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.793 ' HE ' HD11 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -138.52 174.93 10.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.19 138.2 31.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' HIS . 2.0 m -88.11 74.47 8.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 5.9 mmm180 -35.05 -31.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -56.19 -53.94 51.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.577 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.2 tp -137.25 173.61 11.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.59 46.22 1.64 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.469 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.7 m -125.65 -176.96 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.811 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -132.48 167.07 20.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.4 m -147.26 139.52 24.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.944 HG12 HG22 ' A' ' 43' ' ' VAL . 32.2 mt -117.45 133.86 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -110.13 112.8 25.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.557 HG22 ' CB ' ' A' ' 41' ' ' PHE . 17.2 t -111.42 132.25 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 53.8 t80 -80.43 112.23 17.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.9 mmt -82.67 -46.16 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.413 ' N ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.854 0.359 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.413 ' HB3' ' N ' ' A' ' 59' ' ' GLY . . . -116.43 122.84 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 30.8 mt -133.08 125.77 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -102.27 155.93 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -125.02 105.93 9.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -93.92 115.37 27.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -89.46 124.25 34.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 54' ' ' ILE . 31.2 mt -86.69 104.92 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -95.99 174.15 7.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.479 ' CD ' ' HA2' ' A' ' 79' ' ' GLY . 1.1 ttmp? -124.36 138.6 54.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.556 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -91.27 -176.89 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -55.83 -33.4 64.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.13 12.25 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.479 ' HA2' ' CD ' ' A' ' 75' ' ' LYS . . . 53.54 36.61 54.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.556 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 47.6 mt-30 -108.61 142.42 39.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.42 ' CZ2' ' HE3' ' A' ' 75' ' ' LYS . 76.3 m95 -79.93 138.62 37.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 4.6 p90 -154.45 145.01 22.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.515 HG23 HD11 ' A' ' 95' ' ' LEU . 67.6 t -110.92 -48.01 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.5 4.41 24.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.519 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 15.6 tt0 55.66 25.07 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -131.17 -32.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -122.14 108.49 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -98.75 145.64 26.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 41.6 m-85 -121.05 -174.89 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -107.39 -23.36 12.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 m -135.78 149.69 49.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.707 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 13.7 mm -58.45 -48.56 96.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.682 0.753 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.707 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.2 Cg_endo -69.7 -3.34 11.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.727 2.285 . . . . 0.0 112.383 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 13.8 mm-40 -94.0 -39.57 10.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.515 HD11 HG23 ' A' ' 83' ' ' VAL . 1.5 tt -58.79 -35.39 72.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.526 HG22 ' HG2' ' A' ' 100' ' ' GLN . 7.6 mm -88.2 -14.93 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.409 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.9 t-105 -58.99 -43.59 91.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -91.88 -53.63 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -45.37 -26.68 0.57 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.526 ' HG2' HG22 ' A' ' 96' ' ' ILE . 5.4 mm-40 -52.73 -37.92 59.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -107.99 -47.78 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 7.3 m120 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.85 0.357 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 65.4 mt -54.99 102.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -132.88 178.06 7.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.43 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 5.9 m-85 45.36 55.03 14.23 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.734 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 54.6 Cg_endo -69.72 90.05 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.698 2.266 . . . . 0.0 112.312 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 113' ' ' PRO . 79.1 t -35.31 130.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.0 165.65 49.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.525 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.436 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.5 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 p30 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.944 0.402 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.594 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 70.4 mt -127.31 -30.25 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -47.7 -41.55 22.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 16' ' ' TYR . 19.5 pt -48.02 -30.36 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 56.2 m-85 -80.76 173.93 12.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -109.36 -31.01 7.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.0 p-90 -75.68 4.02 8.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 22.1 t80 -107.45 78.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 43' ' ' VAL . 49.8 m-70 -76.78 91.62 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 11.7 ptt180 -95.32 156.54 16.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.829 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 72.55 43.77 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.567 HD11 ' HE ' ' A' ' 44' ' ' ARG . 5.1 pt -134.31 -179.48 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -136.21 168.4 19.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -38.82 -57.61 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.816 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -48.6 -48.84 38.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -62.11 -54.53 39.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.09 -64.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HG2' HD13 ' A' ' 68' ' ' ILE . 12.2 mt-10 -55.34 -51.27 67.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.45 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 2.6 t-160 -48.64 -66.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.832 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 30' ' ' HIS . 61.8 mt -36.62 -40.66 0.27 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.419 HD22 ' O ' ' A' ' 40' ' ' ALA . 62.2 mt -72.65 -52.39 15.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -41.71 -41.15 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.54 -43.55 79.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.666 ' OE1' ' HB2' ' A' ' 40' ' ' ALA . 9.7 mt-10 -68.64 -48.94 62.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.573 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 18.2 p 49.69 54.85 10.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.542 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 9.5 ptpt -161.06 118.56 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' LYS . 20.2 tt0 -33.34 136.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 111' ' ' ARG . . . 112.37 -42.41 1.96 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.666 ' HB2' ' OE1' ' A' ' 35' ' ' GLU . . . -44.36 99.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.074 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.841 ' CG ' HD22 ' A' ' 110' ' ' LEU . 2.1 p90 -126.41 163.87 22.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.591 ' O ' HG23 ' A' ' 54' ' ' ILE . 22.0 pt -158.48 167.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.015 HG22 HG12 ' A' ' 54' ' ' ILE . 58.4 t -135.51 138.51 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.567 ' HE ' HD11 ' A' ' 23' ' ' ILE . 1.5 ptp85 -144.02 174.91 10.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.55 134.69 38.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.8 m -64.88 151.2 46.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -95.89 -40.8 9.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.528 ' NE2' HD12 ' A' ' 49' ' ' LEU . 4.3 p-80 -57.22 -42.41 81.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.528 HD12 ' NE2' ' A' ' 48' ' ' HIS . 37.2 mt -150.34 -175.11 4.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.61 40.53 2.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.539 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.8 t -99.27 -177.28 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.582 ' HB3' HD12 ' A' ' 73' ' ' ILE . 83.9 m-85 -131.11 158.18 41.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.98 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.543 HG22 HH12 ' A' ' 44' ' ' ARG . 94.5 m -146.57 139.96 25.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.178 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 1.015 HG12 HG22 ' A' ' 43' ' ' VAL . 51.4 mt -118.5 128.9 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.189 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.472 ' N ' HH22 ' A' ' 44' ' ' ARG . 38.8 m -107.23 114.4 28.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.512 HG22 ' HB2' ' A' ' 41' ' ' PHE . 20.0 t -108.22 136.67 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 36' ' ' SER . 39.0 t80 -87.6 116.38 25.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.59 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 2.7 mmt -72.81 -59.01 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.467 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.797 0.332 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.59 ' HB3' ' HB2' ' A' ' 58' ' ' MET . . . -104.34 135.35 45.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.404 HD13 ' HG2' ' A' ' 29' ' ' GLU . 29.4 mt -137.51 126.63 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.24 163.73 12.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -133.93 104.63 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -97.7 114.69 26.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -83.76 134.32 34.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.582 HD12 ' HB3' ' A' ' 52' ' ' TYR . 21.3 mt -95.17 113.26 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -106.29 170.03 8.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.529 ' HE2' ' CZ2' ' A' ' 81' ' ' TRP . 23.6 ttmt -115.8 138.64 50.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 76' ' ' ASN . 18.1 p-10 -84.33 -177.27 6.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -62.48 -35.13 78.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.794 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -84.74 18.44 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.7 53.61 42.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.633 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 47.4 mt-30 -122.12 134.97 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.955 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.529 ' CZ2' ' HE2' ' A' ' 75' ' ' LYS . 80.7 m95 -79.82 132.07 36.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 13.4 p90 -151.51 149.15 28.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.557 HG23 HD11 ' A' ' 95' ' ' LEU . 64.8 t -116.2 -50.57 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.076 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.8 -1.2 26.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.2 mt-10 59.21 24.96 13.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -130.76 -31.73 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -122.79 103.08 8.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.633 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -91.52 143.45 26.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 62.0 m-85 -119.74 -176.27 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -109.0 -23.09 11.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -136.62 150.87 48.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.8 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.702 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.8 mm -58.85 -48.72 96.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.679 0.752 . . . . 0.0 111.182 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.702 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.9 Cg_endo -69.78 1.21 4.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.258 . . . . 0.0 112.347 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -100.11 -37.5 8.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.557 HD11 HG23 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -60.49 -36.58 78.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.487 HG23 ' CD1' ' A' ' 110' ' ' LEU . 12.2 mm -88.15 -13.68 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -59.08 -41.1 87.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -90.89 -51.01 5.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -37.74 -47.29 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.41 ' HG3' HG22 ' A' ' 96' ' ' ILE . 52.9 mt-30 -49.57 -50.07 43.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -67.44 -49.22 64.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.856 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.887 0.375 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.841 HD22 ' CG ' ' A' ' 41' ' ' PHE . 28.2 mt -53.82 114.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.473 ' CG ' ' HA3' ' A' ' 39' ' ' GLY . 9.4 ptp180 -120.05 -42.49 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.542 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 3.5 m-85 -107.77 83.53 1.69 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.66 0.743 . . . . 0.0 110.927 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 80.51 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.278 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.576 HG22 ' CD ' ' A' ' 35' ' ' GLU . 72.7 t -45.73 107.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.52 171.59 30.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.917 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.917 0.389 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.498 HD21 ' HD3' ' A' ' 93' ' ' PRO . 92.5 mt -125.29 -34.11 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.962 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -45.21 -39.84 6.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.471 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 35.9 pt -46.35 -35.49 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 19.6 m-85 -79.64 175.0 11.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -107.84 -44.27 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.45 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 18.4 p-90 -56.34 -20.34 18.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 9.5 t80 -81.62 76.42 8.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.464 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 8.1 m-70 -73.23 108.17 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -107.35 154.06 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.5 t30 75.0 44.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.0 pt -137.34 178.48 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' ARG . 14.8 t -137.14 166.82 22.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' THR . 14.7 ttt-85 -35.89 -57.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -48.62 -52.74 21.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.417 ' HG2' HG22 ' A' ' 24' ' ' THR . 17.7 mm100 -56.61 -56.13 25.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.97 -64.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.92 -43.98 73.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 31' ' ' LEU . 7.6 t60 -54.6 -66.06 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' HIS . 98.4 mt -35.9 -44.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.7 -53.87 19.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.8 mmm-85 -40.33 -45.68 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -56.24 -45.86 79.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.78 -44.26 77.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.585 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 24.6 p 49.24 42.59 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.624 ' CE ' ' CE2' ' A' ' 112' ' ' TYR . 0.3 OUTLIER -134.9 124.79 25.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -50.37 134.5 23.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.02 -44.4 1.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.29 121.51 1.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 14.2 p90 -140.69 155.92 46.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.0 pt -146.97 163.13 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.93 HG22 HG12 ' A' ' 54' ' ' ILE . 89.8 t -134.16 120.86 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.093 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.611 HH12 HG22 ' A' ' 53' ' ' THR . 1.9 ptp85 -120.37 174.91 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -98.03 128.18 44.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.7 m -84.43 72.31 10.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' SER . 38.0 mmt180 -35.43 -36.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -46.89 -56.35 6.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.646 HD23 ' H ' ' A' ' 50' ' ' GLY . 0.7 OUTLIER -136.5 171.97 13.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.646 ' H ' HD23 ' A' ' 49' ' ' LEU . . . -74.16 48.25 1.73 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.2 m -126.9 -177.27 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -132.41 171.93 13.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.611 HG22 HH12 ' A' ' 44' ' ' ARG . 91.1 m -150.4 144.29 25.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.93 HG12 HG22 ' A' ' 43' ' ' VAL . 28.9 mt -125.31 122.83 63.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.454 ' N ' HH22 ' A' ' 44' ' ' ARG . 44.0 m -102.79 111.84 24.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.9 t -104.45 139.3 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.585 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 41.1 t80 -87.43 112.31 22.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.5 mmt -80.88 -49.45 11.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.414 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.565 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.768 0.318 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.09 126.73 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.1 mt -135.74 127.49 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 2.6 mptm? -101.5 161.3 13.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -126.24 104.72 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 5.0 m-85 -101.86 107.17 18.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -83.79 125.39 31.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.92 HD11 HD11 ' A' ' 54' ' ' ILE . 31.4 mt -86.13 107.23 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.467 ' NZ ' ' CE1' ' A' ' 82' ' ' TYR . 3.1 mtmp? -101.07 -176.09 3.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.982 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -127.61 146.26 50.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -101.74 -174.74 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -56.91 -33.04 66.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.0 16.01 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 49.41 40.55 31.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 69.3 mt-30 -114.79 143.0 45.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.895 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -80.25 138.4 36.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 46.9 p90 -154.79 161.03 41.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 90.3 t -126.39 -48.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.0 -5.68 52.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 mt-10 66.91 25.0 9.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -134.85 -33.45 0.94 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -115.58 111.74 21.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -106.24 141.07 38.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.075 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 50.9 m-85 -115.32 -174.66 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -103.33 -29.05 11.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.428 ' HB2' ' CD ' ' A' ' 94' ' ' GLU . 3.5 m -134.76 153.32 52.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.714 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.5 mm -60.09 -48.04 95.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.714 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.74 -6.33 18.32 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.428 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.1 OUTLIER -92.64 -34.44 13.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.582 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.8 tt -61.95 -40.53 95.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.486 HG22 ' HG3' ' A' ' 100' ' ' GLN . 6.4 mm -84.65 -14.2 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -57.76 -45.0 86.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 99' ' ' HIS . 7.7 m-85 -89.86 -50.51 6.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 98' ' ' TYR . 4.3 m-70 -38.17 -44.29 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.486 ' HG3' HG22 ' A' ' 96' ' ' ILE . 67.7 mt-30 -52.0 -49.22 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -67.05 -45.37 77.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.816 0.341 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 11.2 mt -61.86 127.21 30.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.408 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 70.8 mtt180 -124.87 -47.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.624 ' CE2' ' CE ' ' A' ' 37' ' ' LYS . 73.9 m-85 -105.09 91.81 4.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.683 0.754 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.73 79.36 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 0.0 112.351 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 63.8 t -40.92 118.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -90.26 163.28 30.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.464 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.2 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.902 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.843 0.354 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 27.0 mt -109.32 -29.82 8.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -48.5 -41.51 30.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 16' ' ' TYR . 16.1 pt -47.94 -27.88 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 55.3 m-85 -85.03 178.23 7.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -113.24 -35.6 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.408 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 11.2 p-90 -70.58 -0.3 8.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 13.8 t80 -100.73 80.27 2.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.474 ' NE2' HG12 ' A' ' 114' ' ' VAL . 45.5 m-70 -74.48 98.29 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 24.6 ptt180 -101.22 154.76 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 72.26 43.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 44' ' ' ARG . 16.6 pt -130.69 176.63 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.546 HG22 ' HG2' ' A' ' 27' ' ' GLN . 13.4 t -131.02 164.13 26.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.0 tpp180 -34.66 -59.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -47.41 -51.13 20.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.546 ' HG2' HG22 ' A' ' 24' ' ' THR . 13.0 mm100 -54.43 -57.31 11.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.57 -60.16 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HA ' HD12 ' A' ' 32' ' ' LEU . 20.5 mt-10 -61.03 -59.69 4.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' ARG . 68.7 t60 -42.96 -64.86 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.789 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' HIS . 19.9 mt -35.95 -40.75 0.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 55' ' ' SER . 6.7 mt -76.29 -43.85 39.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' HIS . 21.3 mmt85 -52.94 -39.73 63.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -55.51 -46.44 76.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -66.13 -51.14 60.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.9 m 61.35 51.2 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.38 148.64 32.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -71.49 117.03 12.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.995 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.88 -38.3 1.92 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.24 112.66 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.339 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.474 ' CB ' HG22 ' A' ' 56' ' ' VAL . 4.3 p90 -132.88 159.3 40.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.472 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 21.4 pt -156.73 161.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.1 t -125.17 108.23 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.677 ' HB3' HD11 ' A' ' 23' ' ' ILE . 20.5 ptt85 -103.65 169.35 8.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -99.2 135.28 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 m -72.94 139.8 47.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -83.81 -46.42 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -52.23 -29.43 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.51 ' HG ' ' N ' ' A' ' 50' ' ' GLY . 54.3 tp -165.16 171.07 14.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.51 ' N ' ' HG ' ' A' ' 49' ' ' LEU . . . -72.48 47.04 1.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -98.72 -177.1 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.948 0.404 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.611 ' HB3' HD12 ' A' ' 73' ' ' ILE . 98.1 m-85 -134.03 156.99 47.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.512 HG23 ' HA ' ' A' ' 72' ' ' GLN . 28.2 m -151.74 134.96 15.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.541 HD11 HD11 ' A' ' 96' ' ' ILE . 24.2 mt -97.25 138.56 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.526 ' HB3' HD11 ' A' ' 32' ' ' LEU . 27.3 m -121.3 101.64 7.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.798 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.474 HG22 ' CB ' ' A' ' 41' ' ' PHE . 29.8 t -101.33 150.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.526 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 65.8 t80 -97.09 108.86 21.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.412 ' CG ' ' HD3' ' A' ' 69' ' ' LYS . 6.1 mmt -78.03 -68.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.752 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.779 0.323 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.752 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -130.9 129.74 42.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.5 mt -131.13 133.12 63.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.412 ' HD3' ' CG ' ' A' ' 58' ' ' MET . 12.4 mptt -101.93 158.12 16.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -130.74 104.77 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.467 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 8.2 m-85 -100.21 98.15 8.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.512 ' HA ' HG23 ' A' ' 53' ' ' THR . 17.6 tt0 -71.78 112.35 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' A' ' 52' ' ' TYR . 21.9 mt -70.29 110.73 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -101.73 172.53 6.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.584 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 24.8 ttmt -126.31 138.12 53.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 79' ' ' GLY . 47.3 p30 -79.7 -177.7 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.53 -33.28 75.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 m -71.23 -17.82 62.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . 93.56 30.82 8.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.474 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 38.8 mt-30 -106.12 142.59 35.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.584 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 71.1 m95 -79.88 133.77 36.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.543 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 3.9 p90 -151.93 158.67 43.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.668 HG23 HD11 ' A' ' 95' ' ' LEU . 62.3 t -121.43 -49.57 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.228 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.82 6.36 15.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.543 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 18.4 tt0 54.06 25.21 5.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -131.9 -32.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -117.93 105.42 11.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.474 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -96.26 146.29 24.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.578 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 91.7 m-85 -118.72 -175.44 2.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -106.76 -24.69 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.43 ' HB2' ' CD ' ' A' ' 94' ' ' GLU . 1.9 m -139.46 152.79 47.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.694 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 5.3 mm -60.33 -49.01 92.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.579 0.704 . . . . 0.0 111.158 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.694 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 52.8 Cg_endo -69.76 -4.79 14.74 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.729 2.286 . . . . 0.0 112.298 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.43 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.1 OUTLIER -94.91 -34.74 12.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.668 HD11 HG23 ' A' ' 83' ' ' VAL . 1.3 tt -60.94 -35.93 78.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.541 HD11 HD11 ' A' ' 54' ' ' ILE . 11.6 mm -86.72 -13.04 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.148 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.414 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.4 t-105 -61.29 -36.91 81.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.597 ' CD2' ' OD1' ' A' ' 102' ' ' ASN . 1.5 t80 -92.05 -47.28 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -41.02 -34.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -53.22 -56.97 12.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -70.52 -55.06 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.597 ' OD1' ' CD2' ' A' ' 98' ' ' TYR . 1.1 p30 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.821 0.344 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.06 117.73 4.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.409 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 46.0 mtp180 -114.45 -55.96 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 113' ' ' PRO . 68.4 m-85 -103.92 93.92 5.88 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.661 0.744 . . . . 0.0 110.902 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 114' ' ' VAL . 53.4 Cg_endo -69.82 79.74 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.291 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.474 HG12 ' NE2' ' A' ' 20' ' ' HIS . 97.6 t -33.33 110.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.19 158.17 50.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.549 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.401 HD21 ' O ' ' A' ' 19' ' ' TYR . 12.0 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.642 HD22 HG23 ' A' ' 15' ' ' ILE . 7.7 t30 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.899 0.381 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.654 HD21 ' HD3' ' A' ' 93' ' ' PRO . 22.2 mt -120.52 -20.02 7.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -50.27 -44.63 53.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.642 HG23 HD22 ' A' ' 12' ' ' ASN . 17.4 pt -46.49 -36.74 2.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.07 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -74.05 -175.01 2.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.08 -36.19 3.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.6 p-90 -66.93 -3.7 7.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.583 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 20.6 t80 -94.84 77.11 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.48 ' HB3' HD13 ' A' ' 23' ' ' ILE . 15.3 m-70 -75.11 93.15 2.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -96.9 167.15 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.9 t30 65.26 37.59 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.604 HD11 HH11 ' A' ' 44' ' ' ARG . 8.7 pt -131.2 175.22 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.208 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.9 p -117.34 176.18 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tpp85 -58.82 -31.47 68.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -75.38 -40.91 57.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -57.46 -52.49 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.06 -61.84 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.11 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -53.2 -59.63 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -38.41 -52.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.1 mt -52.97 -52.66 57.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.497 HD21 HG12 ' A' ' 42' ' ' ILE . 26.2 mt -57.19 -46.17 83.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -46.87 -50.0 19.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -48.64 -41.85 32.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.36 -64.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 5.8 m 69.85 44.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.595 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 12.0 ptpt -151.83 126.16 9.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 39' ' ' GLY . 0.2 OUTLIER -44.88 138.2 3.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.479 ' N ' ' OE1' ' A' ' 38' ' ' GLU . . . 113.87 -46.08 1.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.436 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.34 120.19 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 111.077 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.738 ' CG ' HD22 ' A' ' 110' ' ' LEU . 9.1 p90 -141.01 169.01 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.682 HD12 HH12 ' A' ' 44' ' ' ARG . 1.0 OUTLIER -164.81 167.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.12 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.576 HG22 HG12 ' A' ' 54' ' ' ILE . 57.4 t -134.77 138.0 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.682 HH12 HD12 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -134.01 174.56 10.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.06 132.86 42.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' HIS . 6.7 m -92.19 72.9 5.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' SER . 14.1 ttt180 -37.55 -27.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -56.73 -61.13 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -132.81 45.74 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . 37.75 31.46 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' LEU . 20.6 m -92.29 -177.43 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.866 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.613 ' HB2' HD12 ' A' ' 73' ' ' ILE . 71.7 m-85 -130.94 131.78 44.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.016 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.5 m -118.49 140.69 49.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.576 HG12 HG22 ' A' ' 43' ' ' VAL . 68.9 mt -116.92 120.1 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.459 ' CB ' ' NH2' ' A' ' 44' ' ' ARG . 73.8 m -104.13 105.26 15.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.9 t -98.65 147.42 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 56.6 t80 -92.68 111.91 23.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.2 mmt -83.37 -49.46 9.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.572 ' N ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.437 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.787 0.327 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.572 ' HB3' ' N ' ' A' ' 59' ' ' GLY . . . -139.26 124.08 18.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.2 mt -133.34 127.77 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.457 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 13.1 mptt -103.33 157.34 17.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -122.7 112.31 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.457 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 7.3 m-85 -107.93 108.04 19.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -79.31 130.96 35.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 52' ' ' TYR . 85.1 mt -85.44 111.93 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -102.05 175.94 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.835 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.511 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 24.3 ttmt -127.39 140.98 51.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.476 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -95.34 -179.99 4.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -52.98 -31.62 41.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.417 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 1.9 m -81.33 17.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 47.8 37.75 15.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.522 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 72.1 mt-30 -110.2 143.45 40.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.724 0.297 . . . . 0.0 110.883 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.511 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 74.8 m95 -80.03 144.68 33.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.525 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 5.3 p90 -158.79 143.4 15.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.537 HG23 HD11 ' A' ' 95' ' ' LEU . 66.2 t -107.62 -45.61 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.162 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.54 7.75 21.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.525 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 16.7 tt0 51.94 26.0 3.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -132.37 -32.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -120.09 110.17 16.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -99.92 145.1 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 35.6 m-85 -119.58 -176.0 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -104.09 -21.78 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 m -139.23 150.3 45.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.691 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.0 mm -57.85 -49.38 94.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.69 0.757 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.691 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.8 Cg_endo -69.77 -6.44 18.62 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.268 . . . . 0.0 112.335 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -90.91 -34.22 15.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.625 HD23 HD13 ' A' ' 96' ' ' ILE . 1.2 tt -62.79 -39.29 93.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.625 HD13 HD23 ' A' ' 95' ' ' LEU . 4.7 mm -84.8 -15.45 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.4 t-105 -55.98 -38.29 70.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' HIS . 50.6 t80 -92.4 -52.3 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' TYR . 18.9 m-70 -36.5 -44.41 0.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -50.69 -49.4 57.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -72.62 -47.98 43.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.738 HD22 ' CG ' ' A' ' 41' ' ' PHE . 39.4 mt -67.69 117.22 9.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 65.9 mtp85 -108.68 -53.54 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.595 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 41.5 m-85 -106.88 91.83 6.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.702 0.763 . . . . 0.0 110.951 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 79.93 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.39 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.41 117.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -103.45 171.11 20.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 115' ' ' GLY . 10.7 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.831 HD21 ' HD3' ' A' ' 93' ' ' PRO . 95.9 mt -111.42 -38.21 5.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -45.37 -39.9 7.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.604 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 44.0 pt -45.33 -37.95 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.604 ' CZ ' HD11 ' A' ' 15' ' ' ILE . 28.1 m-85 -81.55 169.9 16.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -103.02 -41.48 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 19.4 p-90 -57.03 -12.76 2.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 9.0 t80 -90.03 84.09 6.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.612 ' CE1' HD13 ' A' ' 31' ' ' LEU . 13.3 m-70 -82.67 106.81 14.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HD2' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -109.84 150.11 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.8 t30 72.16 42.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.464 HD13 ' HB3' ' A' ' 20' ' ' HIS . 13.2 pt -129.57 -176.74 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.3 t -137.02 157.12 47.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 24' ' ' THR . 24.9 ttp180 -34.22 -47.04 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -56.54 -51.2 69.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' THR . 27.7 mm100 -59.05 -50.23 74.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.15 -58.68 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.57 -56.08 26.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -48.42 -52.2 23.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.612 HD13 ' CE1' ' A' ' 20' ' ' HIS . 19.3 mt -48.87 -56.33 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.549 HD11 ' O ' ' A' ' 55' ' ' SER . 39.5 mt -51.71 -46.19 63.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -54.13 -23.4 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 16.1 mm-40 -63.77 -36.74 84.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 35' ' ' GLU . 15.1 mp0 -84.19 -31.7 24.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.5 p 41.76 54.63 3.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.578 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 7.2 ptpt -155.95 144.74 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -64.07 118.84 9.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.467 ' HA3' ' CG ' ' A' ' 111' ' ' ARG . . . 134.24 -29.16 3.08 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.427 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.539 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -57.02 122.97 13.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.715 ' CB ' HD22 ' A' ' 110' ' ' LEU . 8.8 p90 -137.64 160.49 39.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 41' ' ' PHE . 10.2 pt -156.97 156.92 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.3 t -124.94 121.43 61.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -113.44 160.05 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -92.94 142.35 27.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.7 m -83.75 138.25 33.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -81.05 -45.32 16.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.593 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.2 p80 -51.88 -36.73 49.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.593 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.6 tp -157.8 178.05 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.7 46.39 1.7 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 m -98.87 -177.53 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.738 ' HB2' HD12 ' A' ' 73' ' ' ILE . 65.9 m-85 -143.11 149.12 37.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.1 m -130.47 130.68 44.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.6 mt -94.72 140.13 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.549 ' O ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -127.08 105.76 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 25.1 t -103.88 154.04 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.613 ' CE2' ' HB1' ' A' ' 66' ' ' ALA . 52.0 t80 -100.75 108.88 20.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mmt -80.61 -52.11 7.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.527 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.613 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.457 -0.125 0 CA-C-O 120.792 0.33 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.527 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -146.37 131.68 18.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.7 mt -135.44 130.64 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.98 169.7 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -142.26 107.56 5.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.481 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 10.8 m-85 -100.42 120.8 40.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -83.52 139.45 32.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.738 HD12 ' HB2' ' A' ' 52' ' ' TYR . 83.3 mt -104.3 100.35 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.416 ' NZ ' ' OE2' ' A' ' 85' ' ' GLU . 32.1 mtmt -98.12 171.13 8.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.459 ' HE2' ' CZ2' ' A' ' 81' ' ' TRP . 14.7 ttmt -123.57 137.8 54.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.469 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -91.8 -177.69 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -55.66 -31.94 62.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.402 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 1.9 m -80.48 15.81 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 49.31 40.65 30.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.579 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 79.2 mt-30 -113.44 142.38 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.459 ' CZ2' ' HE2' ' A' ' 75' ' ' LYS . 69.1 m95 -80.81 138.74 36.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 17.9 p90 -152.72 150.06 29.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.613 HG23 HD11 ' A' ' 95' ' ' LEU . 71.9 t -116.69 -51.26 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.7 -3.24 37.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.5 mt-10 65.18 25.09 12.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -133.23 -32.7 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -117.4 117.26 29.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -108.11 137.37 46.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CZ ' ' CD1' ' A' ' 98' ' ' TYR . 42.9 m-85 -112.65 -175.34 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.8 -16.7 13.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -139.04 145.97 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.716 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 18.5 mm -59.83 -47.04 98.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.676 0.75 . . . . 0.0 111.182 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.831 ' HD3' HD21 ' A' ' 13' ' ' LEU . 54.1 Cg_endo -69.82 -0.89 7.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.612 2.208 . . . . 0.0 112.375 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 0.1 OUTLIER -96.4 -47.61 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.613 HD11 HG23 ' A' ' 83' ' ' VAL . 2.5 tt -52.56 -33.06 44.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.653 HG23 ' CD1' ' A' ' 110' ' ' LEU . 19.9 mm -90.75 -21.04 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.408 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.4 t-105 -53.05 -48.79 67.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 99' ' ' HIS . 1.9 p90 -76.85 -45.13 29.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.511 ' N ' ' CG ' ' A' ' 98' ' ' TYR . 4.5 t-80 -41.64 -53.42 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -45.8 -36.15 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -79.71 -50.13 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.943 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.871 0.367 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.715 HD22 ' CB ' ' A' ' 41' ' ' PHE . 13.5 mt -62.41 104.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 111' ' ' ARG . 3.5 ptm85 -124.08 -28.67 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 10.4 m-85 -112.11 90.64 14.09 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.7 0.762 . . . . 0.0 110.884 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.87 79.77 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.641 2.228 . . . . 0.0 112.36 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.9 t -37.95 126.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.24 142.67 37.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.431 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.4 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.942 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 13.2 mt -107.66 -38.72 5.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -45.86 -36.45 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 16' ' ' TYR . 37.3 pt -53.95 -35.64 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.541 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 47.3 m-85 -78.26 -177.79 5.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -116.66 -31.26 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 11.3 p-90 -70.39 -1.36 10.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 12.8 t80 -101.59 88.39 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.567 ' HB3' HD13 ' A' ' 23' ' ' ILE . 17.5 m-70 -85.48 91.08 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -87.57 -35.66 17.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.469 ' N ' ' HG2' ' A' ' 21' ' ' ARG . 47.6 t-20 -89.37 60.85 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.567 HD13 ' HB3' ' A' ' 20' ' ' HIS . 9.3 pt -148.34 175.3 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.478 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.5 t -131.6 156.52 45.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.4 tpp85 -32.17 -50.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -55.48 -48.63 74.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' THR . 12.6 mm100 -56.91 -56.95 15.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -38.62 -46.87 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -74.68 -50.63 16.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' LEU . 75.2 t60 -53.31 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 30' ' ' HIS . 26.6 mt -35.37 -48.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.98 -46.49 74.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -44.62 -42.43 7.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -59.07 -38.48 79.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 2.3 mm-40 -69.84 -50.87 38.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 32.7 m 50.4 54.48 11.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.581 ' HE3' ' CD2' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -160.86 112.46 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.4 OUTLIER -33.74 136.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.483 ' HA3' ' CG ' ' A' ' 111' ' ' ARG . . . 119.09 -46.43 1.13 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.93 119.31 1.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.789 ' CG ' HD22 ' A' ' 110' ' ' LEU . 9.6 p90 -138.92 165.13 27.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 41' ' ' PHE . 12.8 pt -164.0 167.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.0 t -126.52 105.2 13.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.498 ' HB3' HD11 ' A' ' 23' ' ' ILE . 37.0 ptt180 -96.95 159.35 14.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -94.08 121.88 36.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.4 m -71.71 74.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' SER . 11.0 tpp180 -34.65 -36.72 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -48.79 -55.34 11.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.5 tp -133.37 173.98 10.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.58 45.97 1.62 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.551 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.6 m -123.77 -177.14 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.398 . . . . 0.0 110.778 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.48 ' HB2' HD12 ' A' ' 73' ' ' ILE . 36.1 m-85 -131.56 163.58 27.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.933 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.1 m -144.27 135.92 25.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.214 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.3 mt -97.99 139.57 19.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.1 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.5 m -124.39 102.25 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.599 HG22 ' CB ' ' A' ' 41' ' ' PHE . 17.8 t -102.17 154.2 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.574 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 48.7 t80 -102.31 114.38 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.0 mmt -78.28 -40.28 37.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.574 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.792 0.329 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.04 132.41 13.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.5 mt -138.19 130.39 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -101.83 169.21 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.468 ' ND1' ' NH2' ' A' ' 44' ' ' ARG . 94.8 m-70 -139.61 107.96 5.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.789 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.481 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 7.9 m-85 -103.85 114.8 29.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -82.92 128.11 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.48 HD12 ' HB2' ' A' ' 52' ' ' TYR . 59.7 mt -88.74 103.96 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -98.17 176.51 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.583 ' CE ' ' CH2' ' A' ' 81' ' ' TRP . 23.9 ttmt -124.9 139.4 53.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.5 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -93.11 -176.76 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -32.3 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.51 13.66 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 51.91 40.37 49.94 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.5 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 87.5 mt-30 -113.19 142.48 45.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.583 ' CH2' ' CE ' ' A' ' 75' ' ' LYS . 45.6 m95 -80.43 124.36 28.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 p90 -143.73 154.36 43.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.98 0.419 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 99.0 t -123.3 -46.79 2.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.156 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 86' ' ' ARG . . . -87.08 20.0 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 84' ' ' ALA . 3.1 pt-20 34.29 31.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 84' ' ' ALA . 22.3 mmt85 -132.62 -24.97 1.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -136.85 112.22 9.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -104.14 149.61 25.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 23.1 m-85 -125.12 -176.18 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -105.85 -24.04 12.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 m -134.2 147.16 50.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.717 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.7 mm -58.12 -47.64 98.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 111.188 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.717 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.3 Cg_endo -69.77 -0.63 7.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.621 2.214 . . . . 0.0 112.358 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -98.19 -41.21 8.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.1 tt -56.38 -34.63 66.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.568 HG23 ' CD1' ' A' ' 110' ' ' LEU . 9.4 mm -90.24 -15.95 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -58.16 -44.44 87.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 99' ' ' HIS . 6.5 m-85 -89.13 -50.35 6.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 95' ' ' LEU . 6.6 m-70 -38.27 -38.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.479 ' O ' ' NE ' ' A' ' 109' ' ' ARG . 27.4 mt-30 -57.9 -51.96 67.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -66.77 -46.27 75.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.911 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.479 ' NE ' ' O ' ' A' ' 100' ' ' GLN . 14.2 ttp180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.789 HD22 ' CG ' ' A' ' 41' ' ' PHE . 24.1 mt -72.58 118.46 15.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.483 ' CG ' ' HA3' ' A' ' 39' ' ' GLY . 3.4 ptp180 -119.31 -40.04 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.581 ' CD2' ' HE3' ' A' ' 37' ' ' LYS . 14.6 m-85 -108.94 88.32 5.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.696 0.76 . . . . 0.0 110.924 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.499 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.74 79.29 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.46 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 85.3 t -37.96 129.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.58 157.81 40.55 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.416 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.5 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.957 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 25.9 mt -108.89 -28.47 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -47.96 -38.28 16.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 16' ' ' TYR . 18.8 pt -49.35 -31.16 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.169 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.477 ' N ' HG13 ' A' ' 15' ' ' ILE . 58.0 m-85 -84.76 -178.5 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.62 -32.82 5.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.425 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 11.7 p-90 -71.15 0.73 7.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 11.0 t80 -102.05 81.98 2.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.597 ' HB3' HD13 ' A' ' 23' ' ' ILE . 38.0 m-70 -76.51 94.84 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.66 HH21 HD22 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -93.28 164.33 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.3 t30 62.3 39.81 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.597 HD13 ' HB3' ' A' ' 20' ' ' HIS . 15.5 pt -131.15 176.21 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.424 HG22 ' HG2' ' A' ' 27' ' ' GLN . 13.5 t -132.92 167.59 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -39.48 -51.66 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -53.39 -52.55 58.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.424 ' HG2' HG22 ' A' ' 24' ' ' THR . 14.7 mm100 -53.77 -59.68 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.426 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -45.2 -63.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -53.56 -58.13 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.46 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 2.5 t-160 -41.42 -60.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.0 mt -41.71 -43.24 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.481 HD11 ' O ' ' A' ' 55' ' ' SER . 59.5 mt -67.21 -51.97 46.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -41.37 -46.43 3.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -57.93 -43.98 86.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.23 -39.53 93.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.427 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 68.2 p 43.71 45.98 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.576 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 8.2 ptpt -152.19 139.17 19.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -61.74 130.98 48.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.04 -41.47 1.78 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -48.33 106.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 111.06 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.917 ' CG ' HD22 ' A' ' 110' ' ' LEU . 2.4 p90 -127.56 165.24 20.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.79 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.59 HG23 ' O ' ' A' ' 41' ' ' PHE . 14.0 pt -160.3 162.71 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.1 t -124.25 104.04 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.588 ' HB3' HD11 ' A' ' 23' ' ' ILE . 19.1 ptt85 -94.62 169.62 10.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.49 107.89 19.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.403 ' OG ' ' C ' ' A' ' 51' ' ' SER . 15.2 m -39.74 139.65 0.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -89.39 -41.18 12.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.6 p80 -57.31 -35.3 69.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 11.3 mt -157.12 -175.69 5.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.18 42.65 2.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.403 ' C ' ' OG ' ' A' ' 46' ' ' SER . 3.3 m -99.0 175.63 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.438 ' HB2' HD12 ' A' ' 73' ' ' ILE . 89.0 m-85 -132.62 140.89 48.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.4 m -128.51 140.78 51.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.175 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.1 mt -105.33 125.77 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.481 ' O ' HD11 ' A' ' 32' ' ' LEU . 49.3 m -109.98 98.27 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.484 HG22 ' CB ' ' A' ' 41' ' ' PHE . 22.2 t -98.6 149.88 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.674 ' HE1' ' HB1' ' A' ' 66' ' ' ALA . 40.9 t80 -98.63 143.53 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.751 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 5.3 mmt -103.42 -60.02 1.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.415 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.53 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.674 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.779 0.324 . . . . 0.0 111.088 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.751 ' HB3' ' HB2' ' A' ' 58' ' ' MET . . . -98.81 113.42 25.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.076 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.8 mt -117.85 133.16 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -101.47 161.1 13.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -136.2 105.21 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.448 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 14.3 m-85 -100.65 112.32 24.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -85.69 126.82 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.438 HD12 ' HB2' ' A' ' 52' ' ' TYR . 46.4 mt -86.32 103.6 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 1.1 mppt? -96.9 169.8 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.4 ' CE ' ' CZ2' ' A' ' 81' ' ' TRP . 7.7 ttmm -118.59 136.08 54.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.434 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -90.56 -175.75 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -59.8 -30.88 69.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.433 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 3.2 m -80.26 19.89 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 46.11 44.71 14.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.434 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 59.1 mt-30 -120.07 142.48 48.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.756 0.313 . . . . 0.0 110.983 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.4 ' CZ2' ' CE ' ' A' ' 75' ' ' LYS . 70.2 m95 -79.98 132.54 36.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.9 p90 -148.09 158.45 44.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.003 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.684 HG23 HD11 ' A' ' 95' ' ' LEU . 77.4 t -119.55 -45.53 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' ARG . . . -95.33 22.1 7.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 84' ' ' ALA . 3.9 pt-20 36.58 28.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' ALA . 15.3 mmt180 -129.86 -24.91 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -133.26 99.87 4.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.413 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -91.6 150.53 21.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 39.0 m-85 -123.58 -174.7 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -104.54 -25.85 12.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.439 ' HB2' ' CD ' ' A' ' 94' ' ' GLU . 2.3 m -139.22 154.83 48.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.728 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 20.1 mm -59.51 -46.74 98.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.658 0.742 . . . . 0.0 111.174 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.728 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.79 -4.12 13.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.621 2.214 . . . . 0.0 112.383 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.439 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.2 OUTLIER -94.83 -37.91 11.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.684 HD11 HG23 ' A' ' 83' ' ' VAL . 1.4 tt -59.81 -36.14 76.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.575 HG22 ' HG3' ' A' ' 100' ' ' GLN . 19.3 mm -87.93 -15.94 9.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.117 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -56.63 -41.85 77.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -94.44 -49.79 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -41.81 -36.83 1.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.575 ' HG3' HG22 ' A' ' 96' ' ' ILE . 10.5 mt-30 -52.73 -57.0 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -74.39 -48.92 24.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.7 ptt85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.845 0.355 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.917 HD22 ' CG ' ' A' ' 41' ' ' PHE . 26.7 mt -52.05 108.1 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 112' ' ' TYR . 14.0 ptm180 -111.44 -46.3 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.576 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 14.1 m-85 -107.82 87.05 3.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.851 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.77 84.62 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.64 2.227 . . . . 0.0 112.422 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 113' ' ' PRO . 95.3 t -34.06 128.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -78.21 161.58 48.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.66 HD22 HH21 ' A' ' 21' ' ' ARG . 14.6 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 p30 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 49.6 mt -106.91 -33.28 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -46.96 -39.38 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.489 HG13 ' N ' ' A' ' 16' ' ' TYR . 23.4 pt -48.49 -32.83 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.543 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 62.9 m-85 -76.34 178.63 6.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -113.95 -33.41 5.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.2 p-90 -73.69 3.32 6.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 14.0 t80 -105.26 81.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.584 ' HB3' HG21 ' A' ' 23' ' ' ILE . 49.1 m-70 -78.23 88.54 4.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 10.2 ptm180 -85.1 -40.85 16.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -83.51 58.94 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.584 HG21 ' HB3' ' A' ' 20' ' ' HIS . 8.9 pt -146.26 174.43 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.9 t -131.42 164.81 24.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' THR . 6.6 tpp180 -36.74 -50.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.75 -57.37 12.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -48.44 -57.38 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -38.73 -51.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HA ' HD13 ' A' ' 68' ' ' ILE . 15.7 mt-10 -69.89 -55.68 9.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' LEU . 18.6 t60 -48.9 -63.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' HIS . 53.8 mt -34.6 -52.56 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.533 HD21 HG12 ' A' ' 42' ' ' ILE . 39.8 mt -65.12 -51.69 59.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -44.34 -51.98 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -45.97 -47.58 16.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.42 -42.41 92.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p 47.63 52.52 12.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.494 ' HD2' ' CD1' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -148.75 122.29 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -45.93 124.24 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.85 -39.33 2.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.589 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.45 ' N ' ' HB2' ' A' ' 112' ' ' TYR . . . -41.91 108.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.598 ' CG ' HD22 ' A' ' 110' ' ' LEU . 10.9 p90 -126.57 155.84 41.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.533 HG12 HD21 ' A' ' 32' ' ' LEU . 11.1 pt -156.03 157.33 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.15 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.435 HG22 HG12 ' A' ' 54' ' ' ILE . 93.1 t -118.06 103.27 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.546 ' HB3' HD11 ' A' ' 23' ' ' ILE . 8.8 ptm180 -97.8 162.61 13.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.77 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -98.5 134.7 41.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.2 m -81.97 74.12 8.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 46' ' ' SER . 26.8 ttp180 -35.09 -34.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -50.31 -54.35 22.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -134.81 175.68 9.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.05 46.33 1.8 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -120.34 -177.35 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.369 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -129.37 167.81 17.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.961 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.8 m -148.45 149.98 32.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.435 HG12 HG22 ' A' ' 43' ' ' VAL . 33.1 mt -117.72 138.41 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.44 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -119.38 110.6 17.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.0 t -111.88 146.49 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.641 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 45.6 t80 -94.4 103.6 15.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.35 -50.52 59.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.499 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.641 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.767 0.317 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -131.21 130.11 42.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 29' ' ' GLU . 19.9 mt -134.08 128.31 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -105.42 162.54 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.992 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -133.2 105.03 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.559 ' HB3' HG13 ' A' ' 83' ' ' VAL . 11.8 m-85 -97.48 113.75 25.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -77.58 136.04 38.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.1 mt -96.78 105.21 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.247 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -100.1 170.69 8.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.44 ' HD2' ' C ' ' A' ' 79' ' ' GLY . 24.1 ttpp -127.71 121.65 30.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -66.01 -173.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -78.04 12.71 1.69 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -116.9 17.79 14.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.44 ' C ' ' HD2' ' A' ' 75' ' ' LYS . . . 57.6 32.65 65.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.464 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.424 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 67.9 mt-30 -119.28 134.37 55.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -79.62 150.08 31.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 4.2 p90 -160.45 143.93 13.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.559 HG13 ' HB3' ' A' ' 71' ' ' TYR . 71.3 t -105.25 -54.73 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.8 11.29 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.171 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.573 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 17.5 tt0 48.42 26.85 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -131.32 -31.99 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -121.38 103.0 8.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -95.28 145.16 25.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 95' ' ' LEU . 65.5 m-85 -119.01 -175.57 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -103.12 -21.87 13.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.4 m -143.04 153.39 42.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.714 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 16.9 mm -60.0 -47.99 95.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.714 0.769 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.714 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.0 Cg_endo -69.84 2.96 3.1 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 3.0 mm-40 -101.55 -43.06 6.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.564 ' HA ' ' CE1' ' A' ' 89' ' ' PHE . 1.8 tt -55.06 -34.89 63.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.779 HG23 ' CD1' ' A' ' 110' ' ' LEU . 24.7 mm -87.75 -21.51 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.407 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.5 t-105 -52.35 -46.23 66.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' HIS . 7.9 m-85 -90.8 -53.39 4.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' TYR . 1.1 m80 -36.91 -42.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.433 ' HG3' HG22 ' A' ' 96' ' ' ILE . 24.4 mt-30 -40.26 -52.68 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -88.74 -40.16 13.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.779 ' CD1' HG23 ' A' ' 96' ' ' ILE . 14.5 mt -82.83 103.67 12.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -121.63 -31.5 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.494 ' CD1' ' HD2' ' A' ' 37' ' ' LYS . 26.0 m-85 -108.05 82.41 1.49 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.687 0.756 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.502 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 54.7 Cg_endo -69.78 79.96 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.413 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.3 t -47.35 115.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -89.58 152.24 22.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.457 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 10.2 mp . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.793 0.33 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.859 0.361 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 38.7 mt -115.65 -36.73 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -45.51 -38.3 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.545 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 37.6 pt -49.15 -35.69 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.545 ' CZ ' HD11 ' A' ' 15' ' ' ILE . 38.2 m-85 -84.47 172.85 11.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 17' ' ' GLU . 15.3 pm0 -106.97 -32.43 7.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.473 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 13.9 p-90 -67.67 -3.18 8.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 8.2 t80 -99.61 77.6 2.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -67.88 116.46 8.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.69 149.52 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.0 t30 74.74 44.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.8 pt -134.26 -179.4 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.149 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' ARG . 11.9 t -135.57 167.78 20.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' THR . 8.6 tpp85 -38.0 -54.89 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.792 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -50.11 -52.59 33.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -54.25 -56.51 17.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.42 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -43.58 -61.28 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.029 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.01 -60.65 3.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' LEU . 86.2 t60 -42.29 -64.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' HIS . 27.9 mt -35.25 -52.85 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.421 HD23 HG21 ' A' ' 114' ' ' VAL . 78.9 mt -57.68 -54.06 51.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -41.11 -53.26 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.2 -44.87 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -77.17 -41.81 40.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m 43.78 46.67 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.7 pttm -140.89 116.73 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' LYS . 9.2 tt0 -36.56 115.96 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.48 -37.13 1.99 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.78 111.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.752 ' CG ' HD22 ' A' ' 110' ' ' LEU . 3.2 p90 -135.5 157.48 46.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.481 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 25.6 pt -156.45 158.81 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.2 t -122.96 110.81 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -104.97 159.16 16.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -85.48 143.96 28.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 48' ' ' HIS . 4.0 m -92.16 82.71 5.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' SER . 3.4 mtp85 -35.94 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.615 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -58.5 -53.84 53.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.615 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -148.27 -174.97 4.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.8 42.79 1.34 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.465 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.6 p -107.26 -177.53 3.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.931 0.396 . . . . 0.0 110.919 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.559 ' HB2' HD12 ' A' ' 73' ' ' ILE . 96.8 m-85 -149.83 141.54 23.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -124.28 131.42 53.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.3 mt -94.62 139.33 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 m -119.19 98.29 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.436 HG22 ' CB ' ' A' ' 41' ' ' PHE . 28.4 t -101.73 145.16 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.187 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.546 ' HE1' ' HB1' ' A' ' 66' ' ' ALA . 52.9 t80 -92.66 117.85 30.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 mmt -86.35 -54.53 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.57 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.45 -0.399 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.546 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.762 0.315 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.57 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -117.53 131.46 56.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.03 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.9 mt -135.7 132.88 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 1.0 OUTLIER -105.4 174.08 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -143.54 106.6 4.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.43 ' HB3' HG11 ' A' ' 83' ' ' VAL . 3.1 m-85 -100.45 113.75 26.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -82.38 136.65 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 52' ' ' TYR . 62.5 mt -95.38 106.57 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.179 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -98.4 174.41 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -121.5 139.59 53.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 29.2 p30 -86.9 -176.26 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -66.88 -31.01 71.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -83.56 17.46 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.77 48.29 79.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.515 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 54.0 mt-30 -121.92 146.35 47.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.522 ' HE3' HG22 ' A' ' 73' ' ' ILE . 93.0 m95 -85.48 136.61 33.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -155.57 157.29 36.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.43 HG11 ' HB3' ' A' ' 71' ' ' TYR . 83.8 t -130.91 -45.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.64 -7.04 58.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.81 25.07 9.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -133.43 -32.08 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -120.5 113.72 20.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -104.49 143.98 32.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 75.5 m-85 -122.37 -175.64 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -112.83 -21.48 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 m -133.61 148.95 51.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.717 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 19.3 mm -59.22 -47.71 97.75 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.686 0.755 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.717 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.2 Cg_endo -69.8 -5.87 17.26 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.661 2.241 . . . . 0.0 112.394 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -92.8 -39.13 11.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 2.8 tt -58.44 -36.66 73.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.743 HG23 HD12 ' A' ' 110' ' ' LEU . 20.2 mm -87.92 -17.5 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.3 t-105 -55.19 -46.59 75.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 99' ' ' HIS . 11.9 m-85 -88.21 -54.36 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 98' ' ' TYR . 6.0 m-70 -36.11 -36.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.83 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.477 HE21 HG22 ' A' ' 96' ' ' ILE . 18.7 mt-30 -43.8 -54.43 5.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -89.6 -47.81 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.879 0.371 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.752 HD22 ' CG ' ' A' ' 41' ' ' PHE . 23.4 mt -50.01 115.68 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 7.6 ptp180 -126.52 -39.5 2.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -107.0 85.15 1.81 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.669 0.747 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.76 83.31 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.718 2.279 . . . . 0.0 112.343 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.481 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 72.3 t -33.96 124.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.15 156.82 47.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.938 -179.904 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.885 0.374 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.517 HD21 ' HD3' ' A' ' 93' ' ' PRO . 95.4 mt -106.4 -38.96 6.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -44.66 -38.98 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.659 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 44.0 pt -47.62 -37.03 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.659 ' CZ ' HD11 ' A' ' 15' ' ' ILE . 13.6 m-85 -80.03 170.22 16.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HB2' ' CA ' ' A' ' 115' ' ' GLY . 1.3 pm0 -105.08 -33.63 8.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.486 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 20.4 p-90 -65.53 -16.05 63.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.584 ' CE2' ' HD3' ' A' ' 21' ' ' ARG . 8.9 t80 -86.05 76.21 9.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 26.1 m-70 -73.26 100.7 3.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.584 ' HD3' ' CE2' ' A' ' 19' ' ' TYR . 21.3 ptt-85 -100.13 163.94 12.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.478 ' ND2' ' HG3' ' A' ' 21' ' ' ARG . 3.0 m-20 62.34 41.49 10.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.432 ' HB ' ' CB ' ' A' ' 27' ' ' GLN . 18.9 pt -128.51 177.12 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.52 HG22 ' HG2' ' A' ' 27' ' ' GLN . 10.5 t -130.08 163.38 26.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.0 OUTLIER -34.45 -58.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.84 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -47.78 -51.11 23.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HG2' HG22 ' A' ' 24' ' ' THR . 15.3 mm100 -52.73 -60.77 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -39.15 -64.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.072 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -56.54 -52.43 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' LEU . 86.6 t60 -47.25 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' HA ' ' NE2' ' A' ' 34' ' ' GLN . 18.2 mt -34.48 -42.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 55' ' ' SER . 55.8 mt -67.34 -55.71 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 6.0 mmm180 -41.44 -48.41 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' A' ' 31' ' ' LEU . 31.2 mt-30 -44.4 -42.71 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -78.69 -43.6 25.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t 50.4 50.57 18.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.605 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 15.4 ptpt -145.05 140.45 28.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -56.21 125.1 20.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' ALA . . . 122.02 -43.26 1.51 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.462 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . -36.3 109.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 111.154 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 5.8 p90 -133.31 160.31 37.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.473 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 27.5 pt -154.42 164.63 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.4 t -123.53 102.85 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.412 ' HB3' HD11 ' A' ' 23' ' ' ILE . 23.2 ptt85 -99.18 165.42 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.24 138.41 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' HIS . 2.0 m -92.04 74.01 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' SER . 37.1 ttp85 -34.58 -36.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -50.28 -54.61 20.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.836 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.583 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.3 tp -135.23 172.99 12.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.5 45.29 1.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.1 m -123.17 -176.99 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -131.25 170.18 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.8 m -146.27 134.41 21.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.5 mt -100.34 130.58 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.521 ' HB3' HD11 ' A' ' 32' ' ' LEU . 3.6 m -113.43 101.0 8.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.481 HG22 ' CB ' ' A' ' 41' ' ' PHE . 23.9 t -100.14 150.19 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.486 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 73.4 t80 -97.14 102.7 14.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.451 ' HG3' ' CE ' ' A' ' 69' ' ' LYS . 5.6 mmt -69.23 -50.35 47.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.49 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.486 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.801 0.334 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.09 123.01 10.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.3 mt -130.01 137.43 56.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.451 ' CE ' ' HG3' ' A' ' 58' ' ' MET . 14.1 mptt -111.9 161.83 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -130.0 110.9 12.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.935 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -107.13 105.29 15.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.12 125.53 29.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.566 HG12 HG22 ' A' ' 83' ' ' VAL . 57.9 mt -83.35 113.41 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -99.8 177.66 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.834 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' CD ' ' HA2' ' A' ' 79' ' ' GLY . 1.0 OUTLIER -129.07 139.8 51.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.471 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -94.44 -176.84 4.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -56.54 -31.89 64.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.416 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 1.7 m -80.38 16.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 75' ' ' LYS . . . 48.99 39.34 25.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.482 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.496 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . 49.6 mt-30 -111.14 140.33 45.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.411 ' CZ2' ' HE3' ' A' ' 75' ' ' LYS . 75.1 m95 -79.86 140.07 36.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 5.1 p90 -153.67 154.31 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.732 HG23 HD11 ' A' ' 95' ' ' LEU . 92.3 t -112.66 -58.32 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.99 -5.22 33.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.573 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.3 mt-10 68.33 25.02 7.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 86' ' ' ARG . 1.4 mmp_? -133.22 -33.09 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -112.91 104.6 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.496 ' HB1' ' CB ' ' A' ' 80' ' ' GLN . . . -96.38 136.5 36.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 77.4 m-85 -112.03 -174.98 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -103.69 -25.51 13.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -139.56 151.6 46.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.695 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.5 mm -59.25 -49.23 93.88 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.604 0.716 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.695 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.78 1.13 4.73 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 0.1 OUTLIER -99.84 -39.86 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.732 HD11 HG23 ' A' ' 83' ' ' VAL . 1.1 tt -56.05 -38.22 70.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.469 HG23 ' CD1' ' A' ' 110' ' ' LEU . 17.2 mm -81.69 -28.65 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.423 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.8 t-105 -44.09 -45.23 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -85.38 -43.17 13.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -43.09 -39.95 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -55.5 -43.96 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -79.18 -44.8 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.83 0.347 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 16.9 mt -45.96 121.05 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 57.1 mtp85 -116.09 -59.16 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.605 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 13.0 m-85 -102.35 96.77 7.61 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.659 0.742 . . . . 0.0 110.937 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 112' ' ' TYR . 53.9 Cg_endo -69.7 79.16 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.473 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 90.4 t -38.38 112.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.445 ' CA ' ' HB2' ' A' ' 17' ' ' GLU . . . -102.86 154.95 18.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.508 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' ' 17' ' ' GLU . 10.3 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.892 0.377 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.0 mt -120.93 -27.96 4.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -48.97 -39.22 25.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 16' ' ' TYR . 22.2 pt -52.34 -29.31 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.065 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 41.2 m-85 -80.14 166.99 20.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.56 -32.32 8.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.4 p-90 -75.43 5.87 5.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.41 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 11.7 t80 -104.3 75.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -74.98 102.64 4.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -99.79 157.67 16.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.03 43.58 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.927 HD11 ' HB3' ' A' ' 44' ' ' ARG . 16.1 pt -131.11 173.79 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.5 t -133.57 169.24 17.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -41.67 -46.51 3.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -57.22 -49.97 74.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -57.41 -55.16 38.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.52 -59.75 3.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.565 ' HA ' HD13 ' A' ' 68' ' ' ILE . 17.9 mt-10 -53.74 -57.19 11.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' LEU . 61.0 t60 -53.56 -66.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' HIS . 23.0 mt -34.25 -54.16 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.462 HD11 ' HB3' ' A' ' 55' ' ' SER . 48.1 mt -54.37 -52.55 61.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -48.19 -26.63 2.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 18.7 mm-40 -57.67 -36.07 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -88.5 -40.54 13.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.2 p 51.85 46.74 26.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.485 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 3.5 ptpt -146.98 127.96 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -44.05 136.53 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.41 -34.32 5.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.58 108.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.363 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.675 ' CG ' HD22 ' A' ' 110' ' ' LEU . 16.0 p90 -132.82 162.56 31.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.597 HG23 ' O ' ' A' ' 41' ' ' PHE . 16.8 pt -160.52 156.77 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.432 HG22 HG12 ' A' ' 54' ' ' ILE . 95.3 t -116.68 114.43 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.195 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.927 ' HB3' HD11 ' A' ' 23' ' ' ILE . 18.7 ptt85 -111.1 162.95 14.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.81 137.91 31.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.4 m -74.03 139.08 44.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -81.59 -46.05 14.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.5 p80 -50.71 -38.87 49.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.628 HD23 ' N ' ' A' ' 50' ' ' GLY . 0.8 OUTLIER -156.18 176.59 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.628 ' N ' HD23 ' A' ' 49' ' ' LEU . . . -74.11 45.33 1.41 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.13 -177.4 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.863 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.475 ' HB3' HD12 ' A' ' 73' ' ' ILE . 58.8 m-85 -130.01 153.69 48.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.4 m -145.29 134.75 23.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.432 HG12 HG22 ' A' ' 43' ' ' VAL . 41.1 mt -102.69 131.33 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.462 ' HB3' HD11 ' A' ' 32' ' ' LEU . 27.3 m -114.16 102.37 10.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.558 HG22 ' CB ' ' A' ' 41' ' ' PHE . 33.2 t -101.5 148.02 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.531 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 55.6 t80 -99.8 110.36 22.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mmt -69.09 -54.19 16.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.531 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.432 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.788 0.328 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.4 133.72 51.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.05 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.565 HD13 ' HA ' ' A' ' 29' ' ' GLU . 24.8 mt -135.2 126.21 45.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.518 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 11.9 mptt -101.31 167.19 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -139.22 107.2 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 2.3 m-85 -100.2 104.87 16.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -74.93 124.9 27.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.475 HD12 ' HB3' ' A' ' 52' ' ' TYR . 19.0 mt -85.58 101.9 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.071 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 1.1 mppt? -96.41 172.38 7.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -125.07 139.03 54.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.458 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -97.56 -177.12 3.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.54 -31.34 64.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.407 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 2.4 m -80.79 18.47 0.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 47.1 41.26 14.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.438 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.506 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 60.0 mt-30 -112.32 137.72 50.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.931 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.414 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 85.4 m95 -82.43 132.91 35.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.472 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.8 p90 -151.88 155.61 38.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.513 HG22 HD11 ' A' ' 95' ' ' LEU . 5.1 m -125.3 -43.58 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.12 -2.33 36.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.3 mt-10 59.08 25.0 13.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -132.97 -32.34 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -120.74 114.58 21.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -105.84 135.93 46.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 54.5 m-85 -110.82 -175.84 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -104.05 -27.9 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.0 m -135.95 155.58 50.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.689 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.2 mm -60.44 -48.91 92.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.074 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.689 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.9 Cg_endo -69.71 2.58 3.38 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 10.7 mt-10 -99.35 -42.77 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 1.3 tt -55.49 -34.68 64.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.54 HD13 HD23 ' A' ' 95' ' ' LEU . 7.0 mm -88.81 -19.47 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.061 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.402 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.1 t-105 -54.46 -47.4 72.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -84.22 -49.84 8.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -40.64 -39.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -56.15 -41.38 75.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -82.9 -55.28 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.6 ptt85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.855 0.359 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.675 HD22 ' CG ' ' A' ' 41' ' ' PHE . 53.0 mt -44.81 134.62 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.487 ' HG3' ' CD2' ' A' ' 112' ' ' TYR . 0.7 OUTLIER -134.98 -50.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.487 ' CD2' ' HG3' ' A' ' 111' ' ' ARG . 11.1 m-85 -105.53 90.17 3.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.685 0.755 . . . . 0.0 110.856 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.497 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.86 79.6 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.66 2.24 . . . . 0.0 112.293 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 69.7 t -48.16 123.36 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.56 -179.16 33.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.82 0.343 . . . . 0.0 110.945 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.811 0.339 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.595 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 6.5 mt -72.19 -20.73 61.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -47.1 -36.16 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.479 HG13 ' N ' ' A' ' 16' ' ' TYR . 31.5 pt -52.53 -33.23 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.479 ' N ' HG13 ' A' ' 15' ' ' ILE . 63.4 m-85 -77.49 -178.21 5.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.84 -36.42 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.4 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 10.0 p-90 -68.11 -2.29 7.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.595 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 5.5 t80 -97.23 89.42 4.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.401 ' CD2' ' CG2' ' A' ' 42' ' ' ILE . 42.5 m-70 -82.44 106.49 14.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 7.2 ptm180 -109.02 155.2 21.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 73.26 40.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.0 pt -133.08 178.2 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.4 t -133.81 164.58 26.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 24' ' ' THR . 20.4 ttt180 -36.54 -53.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -51.01 -51.0 57.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -57.34 -57.99 10.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.41 -48.9 3.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.488 ' HA ' HD12 ' A' ' 32' ' ' LEU . 14.6 mt-10 -69.08 -57.4 5.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 2.6 t-160 -45.98 -60.05 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.6 mt -41.01 -47.22 3.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 29' ' ' GLU . 6.6 mt -66.77 -46.1 76.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -43.2 -43.11 4.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -56.51 -44.26 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.78 -54.17 45.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.581 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 45.9 p 52.82 52.17 14.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -156.55 119.29 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.441 ' O ' ' NE ' ' A' ' 111' ' ' ARG . 20.9 tt0 -43.23 117.97 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.69 -36.3 2.09 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.39 113.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.769 ' CG ' HD22 ' A' ' 110' ' ' LEU . 6.4 p90 -133.44 155.31 49.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.401 ' CG2' ' CD2' ' A' ' 20' ' ' HIS . 16.2 pt -150.62 164.78 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.7 t -122.59 105.78 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 44' ' ' ARG . 1.6 ptm85 -101.98 161.62 13.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.4 OUTLIER -93.59 142.14 27.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' HIS . 2.5 m -92.45 76.09 5.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -35.26 -32.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -53.05 -52.7 57.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 1.2 tp -137.86 177.17 8.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.42 45.7 1.83 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.8 m -124.78 -177.72 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.371 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -133.29 170.54 15.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.937 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.7 m -146.43 146.12 30.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.7 mt -105.5 140.59 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -124.31 100.81 6.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.605 HG22 ' CB ' ' A' ' 41' ' ' PHE . 19.7 t -102.63 147.95 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.654 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 44.2 t80 -95.31 96.43 9.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.816 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.0 mmt -59.33 -50.46 73.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.474 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.439 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.654 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.762 0.315 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.58 124.15 41.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.7 mt -130.52 128.14 63.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -102.02 155.64 18.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -125.88 106.24 9.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.433 ' HB3' HG13 ' A' ' 83' ' ' VAL . 7.5 m-85 -98.6 103.53 15.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -74.72 119.54 19.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.2 mt -80.49 99.92 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -97.79 178.07 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -113.21 130.93 56.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.577 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -82.47 -174.88 5.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -61.28 -31.11 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.412 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 4.2 m -77.31 13.69 1.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.53 34.44 55.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.577 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 6.2 mm100 -119.96 159.62 24.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.726 0.298 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -81.02 144.57 31.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.501 ' CD2' ' HB3' ' A' ' 76' ' ' ASN . 16.3 p90 -158.85 155.21 27.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.433 HG13 ' HB3' ' A' ' 71' ' ' TYR . 76.4 t -125.4 -53.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.26 2.32 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.498 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 2.2 mt-10 57.48 26.31 12.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -134.95 -32.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -123.87 129.9 51.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.801 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.449 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -117.92 168.92 10.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 25.2 m-85 -144.88 170.02 16.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.798 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.501 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 44.4 mt-30 -94.55 -17.29 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -137.86 147.29 44.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.707 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 13.1 mm -60.17 -48.06 95.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.622 0.725 . . . . 0.0 111.2 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.707 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.3 Cg_endo -69.92 0.73 5.34 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.627 2.218 . . . . 0.0 112.315 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -98.47 -39.95 8.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.6 tt -57.2 -35.34 69.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.433 HD13 HD23 ' A' ' 95' ' ' LEU . 8.8 mm -87.56 -20.52 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -52.93 -44.88 67.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.988 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -85.81 -52.15 5.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 95' ' ' LEU . 7.8 m-70 -38.84 -34.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -54.15 -53.62 50.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -74.72 -54.82 6.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.9 p30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 110' ' ' LEU . 10.5 ttp180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.769 HD22 ' CG ' ' A' ' 41' ' ' PHE . 46.9 mt -32.52 109.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.441 ' NE ' ' O ' ' A' ' 38' ' ' GLU . 16.1 ptt180 -122.71 -32.01 3.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -109.19 83.68 2.47 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.683 0.754 . . . . 0.0 110.942 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.47 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.77 79.56 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.1 t -46.21 111.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.69 160.83 50.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.951 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.864 0.364 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.601 HD21 ' HD3' ' A' ' 93' ' ' PRO . 32.1 mt -116.5 -31.69 5.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -42.98 -40.88 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.502 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 37.0 pt -45.84 -39.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.502 ' CZ ' HD11 ' A' ' 15' ' ' ILE . 23.2 m-85 -75.09 164.34 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -102.95 -29.28 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.437 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 17.2 p-90 -71.49 -10.66 60.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.498 ' CG ' ' O ' ' A' ' 19' ' ' TYR . 3.8 t80 -87.93 74.49 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.496 ' CD2' HG22 ' A' ' 42' ' ' ILE . 11.4 m-70 -70.14 110.89 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.62 156.99 22.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.0 t30 69.79 39.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.502 HD11 ' HB3' ' A' ' 44' ' ' ARG . 11.4 pt -129.82 176.99 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.466 HG22 ' HG2' ' A' ' 27' ' ' GLN . 13.7 t -131.67 162.13 31.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.5 tpp85 -35.72 -52.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -53.03 -51.72 60.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.466 ' HG2' HG22 ' A' ' 24' ' ' THR . 15.8 mm100 -55.5 -53.58 54.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.08 -58.38 4.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -62.95 -60.46 3.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CD2' HE21 ' A' ' 34' ' ' GLN . 82.1 t60 -44.08 -63.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' HIS . 53.2 mt -35.41 -50.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.408 HD11 ' HB3' ' A' ' 55' ' ' SER . 24.7 mt -58.59 -51.21 70.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -41.42 -43.98 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.506 HE21 ' CD2' ' A' ' 30' ' ' HIS . 38.0 mt-30 -51.67 -40.44 60.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -73.51 -47.66 39.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.585 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 6.1 m 52.91 47.24 25.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.583 ' HD2' ' CD1' ' A' ' 112' ' ' TYR . 7.3 ptpp? -144.24 153.25 41.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -76.81 115.13 16.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 111' ' ' ARG . . . 137.52 -33.59 2.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 112' ' ' TYR . . . -50.53 132.04 25.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 111.058 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.782 ' CD2' HD13 ' A' ' 110' ' ' LEU . 9.4 p90 -153.58 158.77 41.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 41' ' ' PHE . 17.2 pt -158.16 156.8 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.46 HG22 HG12 ' A' ' 54' ' ' ILE . 67.1 t -120.2 108.5 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' HB3' HD11 ' A' ' 23' ' ' ILE . 7.7 ptm180 -98.11 164.29 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.53 134.65 40.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' LEU . 73.1 m -72.3 135.17 45.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -79.2 -45.68 19.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.3 p80 -52.83 -39.44 62.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 6.4 tp -154.88 178.06 10.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.53 45.68 1.57 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.57 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 m -95.63 179.58 5.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.908 0.385 . . . . 0.0 110.82 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.805 ' HB2' HD12 ' A' ' 73' ' ' ILE . 41.0 m-85 -140.18 139.06 35.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 71' ' ' TYR . 63.1 m -130.02 129.31 43.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.46 HG12 HG22 ' A' ' 43' ' ' VAL . 11.7 mt -92.44 146.53 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.206 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.408 ' HB3' HD11 ' A' ' 32' ' ' LEU . 18.2 m -132.11 100.42 5.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.534 HG22 ' CB ' ' A' ' 41' ' ' PHE . 28.9 t -99.34 150.92 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.585 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 28.8 t80 -98.66 120.82 39.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.421 ' CG ' ' HD3' ' A' ' 69' ' ' LYS . 10.8 mmt -89.56 -49.75 6.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.406 ' CA ' ' CE1' ' A' ' 57' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.524 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.83 0.348 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -120.71 134.47 55.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.5 mt -138.54 134.38 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.09 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 1.2 mptp? -101.72 164.54 11.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -138.11 105.03 5.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.587 ' O ' HG23 ' A' ' 53' ' ' THR . 4.7 m-85 -101.17 134.91 43.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -99.93 144.39 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.805 HD12 ' HB2' ' A' ' 52' ' ' TYR . 65.8 mt -108.21 110.97 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -118.12 165.14 14.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -112.68 131.28 55.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -82.63 -177.94 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -58.36 -30.39 66.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.407 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 1.5 t -80.71 16.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 49.56 51.36 27.92 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.641 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . 86.6 mt-30 -130.54 142.22 50.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -79.6 138.87 37.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.521 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 8.6 p90 -155.01 160.31 40.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.767 HG23 HD11 ' A' ' 95' ' ' LEU . 88.3 t -125.39 -50.17 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.1 1.79 20.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.521 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 2.3 mt-10 60.88 24.94 14.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -133.25 -32.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -115.32 116.67 28.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.641 ' HB1' ' CB ' ' A' ' 80' ' ' GLN . . . -106.78 142.11 36.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 54.3 m-85 -118.84 -175.67 2.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -110.02 -24.44 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 m -134.72 151.5 51.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.68 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 9.8 mm -59.73 -49.27 92.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.68 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.9 Cg_endo -69.71 -1.13 7.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 9.1 mt-10 -96.55 -38.98 9.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.767 HD11 HG23 ' A' ' 83' ' ' VAL . 1.3 tt -57.38 -38.17 73.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.589 HD13 HD23 ' A' ' 95' ' ' LEU . 17.0 mm -84.36 -24.92 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.412 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.2 t-105 -47.07 -44.84 21.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.487 ' O ' ' N ' ' A' ' 100' ' ' GLN . 4.8 m-85 -86.67 -54.59 4.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 98' ' ' TYR . 0.7 OUTLIER -34.38 -33.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 98' ' ' TYR . 30.5 mt-30 -64.89 -53.9 39.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 98' ' ' TYR . 3.5 m170 -64.96 -47.3 78.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.782 HD13 ' CD2' ' A' ' 41' ' ' PHE . 9.2 mt -94.67 123.52 38.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.409 ' HG2' ' HA3' ' A' ' 39' ' ' GLY . 20.9 ptt180 -126.88 -23.9 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.583 ' CD1' ' HD2' ' A' ' 37' ' ' LYS . 14.0 m-85 -110.87 84.35 4.21 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.656 0.741 . . . . 0.0 110.972 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.454 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 54.1 Cg_endo -69.73 79.75 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.615 2.21 . . . . 0.0 112.325 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 69.4 t -37.93 121.62 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.76 163.4 40.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.778 0.323 . . . . 0.0 110.935 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.9 t30 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 35.0 mt -110.69 -26.36 9.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -45.49 -41.44 9.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 16' ' ' TYR . 45.3 pt -49.19 -35.48 8.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.039 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 44.3 m-85 -74.35 167.97 20.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -105.55 -30.31 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.41 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 10.0 p-90 -75.28 4.91 6.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.575 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 12.8 t80 -108.24 78.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.584 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 23.8 m-70 -77.45 90.33 3.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.804 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 4.5 ptm180 -84.09 -39.08 19.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 49.7 t-20 -83.51 59.41 5.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 20' ' ' HIS . 8.1 pt -150.06 176.59 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.553 HG22 ' HG2' ' A' ' 27' ' ' GLN . 13.6 t -133.62 165.67 24.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 24' ' ' THR . 10.3 ttp-105 -33.66 -58.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -50.39 -62.57 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.553 ' HG2' HG22 ' A' ' 24' ' ' THR . 5.6 mm-40 -41.27 -53.59 3.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.38 -63.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -58.91 -59.57 5.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' LEU . 4.5 t60 -43.7 -65.67 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' HIS . 71.0 mt -34.73 -52.03 0.51 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 35' ' ' GLU . 80.3 mt -59.32 -51.35 70.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -39.38 -48.96 1.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -54.4 -39.09 66.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HG3' HG22 ' A' ' 114' ' ' VAL . 4.8 mm-40 -67.45 -47.73 69.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 9.8 t 46.28 54.66 8.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.461 ' CD ' ' CD2' ' A' ' 112' ' ' TYR . 10.1 ptpt -155.23 123.39 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -45.71 121.55 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.42 -40.89 1.68 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.19 106.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.63 ' O ' HG23 ' A' ' 42' ' ' ILE . 6.5 p90 -130.97 164.02 26.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 41' ' ' PHE . 7.8 pt -161.51 160.56 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.075 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.441 HG22 HG12 ' A' ' 54' ' ' ILE . 61.1 t -120.33 105.45 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.134 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.499 ' HB3' HD11 ' A' ' 23' ' ' ILE . 33.3 ptt85 -100.39 166.24 11.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.47 152.13 22.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' HIS . 28.4 m -89.36 85.01 6.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' SER . 6.0 mmm180 -35.89 -30.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.834 ' CE1' HD12 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -64.12 -63.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.834 HD12 ' CE1' ' A' ' 48' ' ' HIS . 12.6 mt -135.56 -174.86 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.04 49.0 2.12 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.4 t -108.61 -178.66 3.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.382 . . . . 0.0 110.816 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CB ' HD12 ' A' ' 73' ' ' ILE . 59.7 m-85 -134.79 144.48 47.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.0 m -133.83 139.82 46.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.441 HG12 HG22 ' A' ' 43' ' ' VAL . 20.3 mt -107.24 143.37 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 m -125.4 100.36 6.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.8 t -95.22 136.21 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 50.3 t80 -85.19 94.24 8.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ALA . 4.8 mtt -65.42 -48.18 73.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.578 ' N ' ' HB3' ' A' ' 67' ' ' ALA . . . . . . . . 0 N--CA 1.453 -0.224 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.445 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.772 0.32 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.578 ' HB3' ' N ' ' A' ' 59' ' ' GLY . . . -125.2 123.45 39.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.6 mt -132.79 126.86 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -103.04 158.8 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.805 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -124.4 110.39 14.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.493 ' HB3' HG13 ' A' ' 83' ' ' VAL . 6.7 m-85 -104.29 116.66 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -84.43 120.08 25.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.41 HD12 ' CB ' ' A' ' 52' ' ' TYR . 80.2 mt -77.51 100.05 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.189 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -97.3 177.51 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -117.12 131.59 56.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.476 ' OD1' ' N ' ' A' ' 78' ' ' SER . 35.1 p30 -74.95 -174.97 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -67.48 -33.07 74.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.476 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 1.8 m -72.41 -10.04 59.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . 84.9 33.66 17.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.503 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 6.0 mm100 -117.75 158.96 23.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.773 0.32 . . . . 0.0 110.988 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -82.35 145.04 30.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -158.29 153.71 25.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.755 HG23 HD11 ' A' ' 95' ' ' LEU . 87.0 t -121.54 -51.73 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.06 15.61 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.05 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 44.72 28.5 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -133.35 -32.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -126.36 124.33 40.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.403 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -111.71 168.84 9.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.58 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 28.3 m-85 -143.26 170.38 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.494 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 37.5 mt-30 -94.96 -17.67 21.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -138.85 149.24 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.702 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 11.7 mm -60.3 -47.95 95.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.702 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.76 0.53 5.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 16.7 mm-40 -97.91 -39.75 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.755 HD11 HG23 ' A' ' 83' ' ' VAL . 2.0 tt -57.73 -35.85 71.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.602 HG23 ' CD1' ' A' ' 110' ' ' LEU . 22.3 mm -85.81 -21.21 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.062 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.408 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 20.5 t-105 -52.39 -52.38 53.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -85.31 -51.28 6.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -41.07 -38.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -39.8 -44.57 1.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -98.48 -37.65 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.869 0.366 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.61 HD13 ' CE2' ' A' ' 41' ' ' PHE . 7.1 mt -88.19 113.38 23.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.7 mtt-85 -114.54 -49.8 2.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.461 ' CD2' ' CD ' ' A' ' 37' ' ' LYS . 9.7 m-85 -104.59 93.32 5.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.66 0.743 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.71 80.47 0.86 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.371 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.485 HG22 ' HG3' ' A' ' 35' ' ' GLU . 59.1 t -34.18 124.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.99 161.93 44.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.584 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.5 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 t -141.14 109.7 5.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.883 0.373 . . . . 0.0 110.934 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -134.43 121.83 21.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.71 -171.6 0.24 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -127.36 174.79 8.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 0.0 110.799 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -80.89 119.45 23.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.47 -176.24 22.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.461 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -85.24 147.54 26.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -82.4 152.19 26.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 74.7 mt -60.49 -49.67 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 m -62.9 124.92 22.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -123.3 115.55 21.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.594 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 59.1 mt -113.93 -35.42 5.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -45.86 -35.01 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 16' ' ' TYR . 40.5 pt -53.67 -37.3 31.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.464 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 63.2 m-85 -73.92 -176.15 2.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.515 ' O ' HD12 ' A' ' 116' ' ' LEU . 4.6 pt-20 -116.62 -39.53 3.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.412 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 12.4 p-90 -65.22 -5.29 6.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 16.6 t80 -96.69 82.94 3.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.55 ' HB3' HD13 ' A' ' 23' ' ' ILE . 24.5 m-70 -77.43 100.94 6.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -98.83 161.89 13.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m120 62.39 43.25 8.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.607 HD11 ' HB3' ' A' ' 44' ' ' ARG . 9.7 pt -131.7 174.75 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.525 HG22 ' HG2' ' A' ' 27' ' ' GLN . 15.3 t -133.7 165.78 24.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 24' ' ' THR . 15.7 ttp180 -34.21 -58.81 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -47.22 -51.48 18.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.525 ' HG2' HG22 ' A' ' 24' ' ' THR . 19.9 mm100 -55.53 -60.04 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.66 -62.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.86 -60.39 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -37.59 -54.22 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.824 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.427 HD13 ' CE1' ' A' ' 20' ' ' HIS . 42.3 mt -50.63 -50.41 54.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.595 HD21 HG12 ' A' ' 42' ' ' ILE . 52.4 mt -61.08 -46.87 88.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -46.26 -39.79 10.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -59.15 -44.59 92.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.502 ' OE2' ' CE ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -70.98 -45.58 63.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.548 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 43.1 p 43.14 48.38 5.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.569 ' HD2' ' CD1' ' A' ' 112' ' ' TYR . 11.8 pttt -146.69 123.16 11.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -40.36 119.76 1.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 126.61 -40.0 1.88 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.47 104.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.646 ' CB ' HG22 ' A' ' 56' ' ' VAL . 6.2 p90 -125.43 167.4 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.678 HG23 ' HB ' ' A' ' 114' ' ' VAL . 5.0 pt -159.81 175.19 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.449 HG22 HG12 ' A' ' 54' ' ' ILE . 95.7 t -140.02 123.53 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.607 ' HB3' HD11 ' A' ' 23' ' ' ILE . 6.9 ptm180 -130.71 173.78 10.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.87 155.92 16.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' HIS . 0.8 OUTLIER -93.86 93.82 8.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.2 tpm_? -37.45 -26.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.614 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.6 OUTLIER -74.31 -54.01 8.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.614 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 10.4 tp -131.31 166.63 20.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -73.58 45.86 1.31 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -108.29 -177.04 3.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -133.41 137.09 45.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 55.8 m -120.62 140.36 51.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.449 HG12 HG22 ' A' ' 43' ' ' VAL . 26.6 mt -100.53 125.0 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.092 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.12 108.54 20.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.646 HG22 ' CB ' ' A' ' 41' ' ' PHE . 29.0 t -110.23 155.54 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.548 ' CE2' ' HA ' ' A' ' 36' ' ' SER . 63.1 t80 -103.35 110.95 23.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' ALA . 7.0 mmt -81.88 -37.5 26.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.571 ' N ' ' HB3' ' A' ' 67' ' ' ALA . . . 70.31 135.33 0.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.501 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.487 ' HB3' ' H ' ' A' ' 65' ' ' GLU . . . -48.38 177.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 111.079 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -79.43 -61.72 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 63' ' ' SER . 14.1 mmm180 -85.24 39.08 0.76 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 62' ' ' ARG . 63.9 m 34.95 42.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 25.0 m -108.11 -23.85 11.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.176 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.487 ' H ' ' HB3' ' A' ' 60' ' ' ALA . 21.8 mt-10 -131.84 -175.14 3.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.403 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . -116.16 150.25 37.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.571 ' HB3' ' N ' ' A' ' 59' ' ' GLY . . . -143.34 127.12 17.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.42 ' CG2' HD12 ' A' ' 32' ' ' LEU . 20.8 mt -132.49 127.03 56.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -102.12 163.29 12.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -134.11 104.74 6.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.801 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.638 ' HB3' HG13 ' A' ' 83' ' ' VAL . 17.9 m-85 -98.01 102.16 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.61 126.46 29.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.529 HG12 HG22 ' A' ' 83' ' ' VAL . 69.8 mt -87.32 109.29 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -99.76 174.92 5.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.429 ' CG ' ' HA2' ' A' ' 79' ' ' GLY . 23.3 ttpp -129.72 142.91 50.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.947 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -98.9 -178.72 4.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -31.92 61.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.405 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 3.2 m -79.6 14.06 1.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.429 ' HA2' ' CG ' ' A' ' 75' ' ' LYS . . . 50.66 42.73 45.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.527 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.528 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 67.5 mt-30 -116.38 135.92 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.417 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 72.1 m95 -80.07 138.7 37.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 82' ' ' TYR . 3.9 p90 -150.14 142.68 24.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.974 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.638 HG13 ' HB3' ' A' ' 71' ' ' TYR . 77.9 t -108.02 -43.26 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.69 9.05 28.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.468 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 14.0 tt0 50.97 25.97 2.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -131.26 -32.19 1.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -120.27 109.81 15.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -99.63 138.67 36.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 72.2 m-85 -113.89 -176.1 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -106.82 -21.43 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -139.69 150.9 45.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.709 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 16.0 mm -58.63 -48.38 96.98 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.607 0.718 . . . . 0.0 111.087 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.709 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.65 -2.73 10.59 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.411 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 9.1 mt-10 -95.93 -37.06 10.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.634 HD11 HG23 ' A' ' 83' ' ' VAL . 2.5 tt -59.99 -37.56 80.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.3 mm -85.97 -17.93 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.405 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.0 t-105 -54.52 -44.26 72.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.438 ' O ' ' C ' ' A' ' 99' ' ' HIS . 9.0 m-85 -87.33 -52.71 5.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.438 ' C ' ' O ' ' A' ' 98' ' ' TYR . 6.6 m-70 -34.9 -47.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.821 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -47.49 -46.68 27.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 98' ' ' TYR . 7.3 m-70 -76.49 -36.83 57.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 103' ' ' ALA . 5.3 p30 -155.11 107.32 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.527 ' O ' ' HB3' ' A' ' 104' ' ' ALA . . . -36.21 -72.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 103' ' ' ALA . . . 73.42 38.42 0.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 106' ' ' LEU . . . -178.16 62.65 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.545 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 105' ' ' GLY . 13.4 tp 33.77 40.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 110.951 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.448 ' HG2' ' N ' ' A' ' 108' ' ' THR . 21.3 ttm -131.26 150.32 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.448 ' N ' ' HG2' ' A' ' 107' ' ' MET . 14.0 t -66.09 144.28 56.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 110' ' ' LEU . 7.5 ttm180 -71.95 99.72 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.487 ' HB3' ' CD2' ' A' ' 41' ' ' PHE . 23.5 mt -35.24 122.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.404 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 83.9 mtt180 -114.68 -52.52 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.569 ' CD1' ' HD2' ' A' ' 37' ' ' LYS . 27.9 m-85 -104.83 92.02 4.8 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.694 0.759 . . . . 0.0 110.993 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.472 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 53.9 Cg_endo -69.76 79.93 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.238 . . . . 0.0 112.349 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.678 ' HB ' HG23 ' A' ' 42' ' ' ILE . 66.0 t -47.94 113.0 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -101.49 162.74 17.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 17' ' ' GLU . 10.0 mp -37.27 -58.19 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.368 . . . . 0.0 110.924 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.6 ptp -72.04 89.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -62.59 161.33 31.52 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.558 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 30.5 t -65.14 -69.42 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.3 t -173.59 146.42 1.31 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -161.08 138.52 5.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 163.73 37.14 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.69 2.26 . . . . 0.0 112.403 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.9 p -105.17 145.53 30.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.3 t -49.82 167.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t 70.69 42.08 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.9 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 p -172.1 139.63 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.822 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.18 97.77 0.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.437 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -47.71 -51.9 20.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.949 0.405 . . . . 0.0 110.881 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -73.48 167.38 21.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.84 151.56 41.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.507 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -150.16 146.42 26.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -60.84 132.79 55.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.2 mt -48.63 -67.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.123 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.2 m -154.23 110.76 3.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -93.47 109.87 21.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.534 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 58.3 mt -109.26 -34.05 6.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -47.18 -35.14 7.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 16' ' ' TYR . 31.6 pt -51.23 -34.23 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.486 ' N ' HG13 ' A' ' 15' ' ' ILE . 62.9 m-85 -74.22 -174.94 2.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -118.87 -34.29 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.432 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 8.7 p-90 -73.92 3.32 6.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 18.5 t80 -106.91 87.99 2.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.935 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 23.2 m-70 -86.17 95.51 9.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 8.5 ptm180 -90.37 -43.5 10.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -75.78 54.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' A' ' 20' ' ' HIS . 7.2 pt -148.85 172.28 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.7 t -129.38 165.39 21.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -37.3 -50.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -55.53 -54.45 43.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -52.1 -57.04 10.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.41 -64.42 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.172 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.478 ' HG2' HG21 ' A' ' 68' ' ' ILE . 16.1 mt-10 -56.5 -59.13 5.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.463 ' CD2' ' NE2' ' A' ' 34' ' ' GLN . 44.1 t60 -43.33 -65.8 0.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 30' ' ' HIS . 74.1 mt -34.29 -54.67 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.67 HD22 ' HB1' ' A' ' 40' ' ' ALA . 39.4 mt -62.56 -48.07 81.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.62 ' CD ' ' HB3' ' A' ' 66' ' ' ALA . 52.3 mmm-85 -47.54 -49.4 26.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.463 ' NE2' ' CD2' ' A' ' 30' ' ' HIS . 33.5 mt-30 -56.55 -46.35 80.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -62.46 -46.88 86.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 5.4 t 51.83 51.91 15.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -144.18 115.32 7.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -39.28 150.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 111' ' ' ARG . . . 99.31 -44.35 1.69 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.67 ' HB1' HD22 ' A' ' 32' ' ' LEU . . . -33.44 104.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.806 0.336 . . . . 0.0 111.094 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.561 ' CE2' ' HB3' ' A' ' 113' ' ' PRO . 1.4 p90 -133.45 131.91 40.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 6.6 pt -136.75 146.19 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.126 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.781 HG22 HG12 ' A' ' 54' ' ' ILE . 70.8 t -101.7 99.0 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -91.83 164.39 13.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -92.04 137.43 32.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.798 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.2 m -77.49 136.15 38.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 -84.26 -46.16 12.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -50.44 -32.95 19.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.497 ' HG ' ' N ' ' A' ' 50' ' ' GLY . 52.3 tp -162.8 171.11 17.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.497 ' N ' ' HG ' ' A' ' 49' ' ' LEU . . . -72.7 46.69 1.14 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.503 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -97.38 -176.98 3.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.403 . . . . 0.0 110.846 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -130.72 130.88 44.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 31.2 m -131.72 138.08 48.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.173 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.781 HG12 HG22 ' A' ' 43' ' ' VAL . 17.5 mt -102.88 144.21 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.409 ' O ' HD11 ' A' ' 32' ' ' LEU . 3.4 m -119.61 99.94 6.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.7 t -94.33 150.01 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.574 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 56.5 t80 -101.62 117.79 35.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.416 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 4.1 mmt -79.05 -51.29 9.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.795 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.574 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . 117.23 135.92 5.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.483 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.688 ' HB2' ' HA ' ' A' ' 66' ' ' ALA . . . -73.36 71.83 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -97.89 40.18 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -174.68 157.01 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.491 ' C ' ' O ' ' A' ' 62' ' ' ARG . 22.9 t -30.79 -38.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.493 ' N ' ' O ' ' A' ' 62' ' ' ARG . 84.0 m -69.44 139.09 53.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.107 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' A' ' 65' ' ' GLU . 7.0 mp0 -52.85 -174.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.688 ' HA ' ' HB2' ' A' ' 60' ' ' ALA . . . -41.8 164.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.416 ' HB3' ' HB2' ' A' ' 58' ' ' MET . . . -130.41 128.09 40.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.478 HG21 ' HG2' ' A' ' 29' ' ' GLU . 20.7 mt -133.63 127.43 52.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -102.62 158.82 15.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -124.03 104.74 9.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.531 ' CE2' ' SD ' ' A' ' 107' ' ' MET . 37.5 m-85 -99.41 108.35 20.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -85.01 125.66 32.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.466 HD11 HD11 ' A' ' 54' ' ' ILE . 73.3 mt -81.9 112.58 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -97.78 179.33 4.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.428 ' NZ ' ' CE2' ' A' ' 81' ' ' TRP . 8.4 ttmm -126.49 140.51 52.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.443 ' C ' ' OD1' ' A' ' 76' ' ' ASN . 24.7 p-10 -88.84 -175.1 4.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.78 -30.19 69.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.0 m -85.21 19.38 2.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.09 51.03 58.34 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.622 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 68.4 mt-30 -125.0 137.67 54.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.798 0.332 . . . . 0.0 110.883 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.442 ' HE3' HG22 ' A' ' 73' ' ' ILE . 91.7 m95 -79.89 142.81 34.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.443 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.9 p90 -158.3 157.13 31.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.97 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.452 ' CG2' HG12 ' A' ' 73' ' ' ILE . 39.0 t -121.12 -46.5 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.175 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.83 16.49 4.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 45.27 26.49 0.27 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.6 mmt180 -130.19 -31.13 1.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -120.25 113.8 20.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.762 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.622 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -107.06 139.08 42.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.517 ' CG ' ' HA ' ' A' ' 95' ' ' LEU . 86.4 m-85 -117.23 -175.39 2.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -106.65 -24.46 12.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.3 m -136.73 150.2 48.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.713 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 19.7 mm -59.48 -47.9 96.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.595 0.712 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.713 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.6 Cg_endo -69.77 -5.16 15.54 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.309 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 0.1 OUTLIER -93.36 -39.95 10.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.597 HD23 HD13 ' A' ' 96' ' ' ILE . 1.5 tt -55.92 -38.79 70.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.597 HD13 HD23 ' A' ' 95' ' ' LEU . 17.8 mm -83.83 -28.27 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.403 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.9 t-105 -43.33 -44.75 5.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.589 ' CE2' ' ND2' ' A' ' 102' ' ' ASN . 9.0 t80 -91.17 -52.72 4.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.574 ' HB3' HD12 ' A' ' 110' ' ' LEU . 2.0 t-80 -36.99 -35.53 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.447 ' HG3' HG22 ' A' ' 96' ' ' ILE . 21.2 mt-30 -53.27 -48.29 68.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -103.98 39.76 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.589 ' ND2' ' CE2' ' A' ' 98' ' ' TYR . 58.5 m-80 -163.24 133.21 4.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 104' ' ' ALA . . . -84.45 41.36 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 103' ' ' ALA . . . -33.84 135.12 0.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 53.65 -177.82 0.2 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.53 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 107' ' ' MET . 4.6 mm? -62.84 -43.22 99.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.966 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.689 ' HE1' HD21 ' A' ' 110' ' ' LEU . 7.4 ttt -37.41 142.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.0 t -62.64 148.63 45.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.062 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -49.48 151.21 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.689 HD21 ' HE1' ' A' ' 107' ' ' MET . 12.3 mt -85.17 77.99 9.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 39' ' ' GLY . 31.8 ptt180 -115.9 164.57 14.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.435 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 3.0 m-85 61.94 55.02 2.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.742 0.782 . . . . 0.0 110.979 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.74 88.39 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.338 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 76.7 t -42.29 129.97 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -81.18 161.89 43.74 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.576 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 11.9 mt -51.73 -64.33 0.85 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.843 0.354 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 16.5 mtt -64.69 -44.44 90.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 54.86 38.39 64.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 m -144.26 116.34 8.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.875 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.3 t -54.61 -44.38 73.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 112.88 173.4 18.87 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 164.48 34.32 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.336 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.5 t -100.16 102.74 14.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.801 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 31.1 t -160.64 122.54 3.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.471 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 t 47.53 42.05 14.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.0 m -95.49 -52.23 4.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.13 150.82 7.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -91.35 86.8 6.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.827 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -60.26 -47.05 87.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.02 -77.56 0.73 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -115.47 154.62 28.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.975 0.417 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -44.59 154.72 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.954 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.8 mm -51.04 134.99 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.8 m -118.05 102.9 9.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.7 108.48 19.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.846 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.644 HD21 ' HD3' ' A' ' 93' ' ' PRO . 94.3 mt -109.09 -32.98 7.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -44.43 -42.81 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.481 HG13 ' N ' ' A' ' 16' ' ' TYR . 41.6 pt -40.93 -35.02 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.481 ' N ' HG13 ' A' ' 15' ' ' ILE . 57.8 m-85 -78.72 179.41 7.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -113.74 -32.19 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.479 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 11.2 p-90 -72.35 0.98 8.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.531 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 14.6 t80 -106.3 84.63 2.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.976 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.627 ' HB3' HG21 ' A' ' 23' ' ' ILE . 27.3 m-70 -82.72 91.36 7.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.514 ' HD2' ' CE2' ' A' ' 19' ' ' TYR . 4.4 ptm180 -85.28 -48.33 9.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -76.36 59.83 1.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.763 HD11 ' HB3' ' A' ' 44' ' ' ARG . 9.3 pt -147.31 176.41 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.077 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 25' ' ' ARG . 10.2 t -130.86 161.53 31.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.133 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 24' ' ' THR . 11.5 ttp180 -35.29 -47.18 0.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -59.43 -60.84 3.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -41.08 -52.64 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.659 ' HB2' ' HD2' ' A' ' 44' ' ' ARG . . . -47.23 -63.53 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.119 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -57.3 -56.34 23.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' LEU . 83.4 t60 -47.26 -67.4 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' HIS . 52.5 mt -34.62 -43.48 0.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.98 -49.34 65.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 30' ' ' HIS . 20.0 mmm-85 -42.02 -54.41 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -48.2 -42.9 31.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 17.5 mm-40 -65.95 -49.19 68.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.3 p 45.44 54.44 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.587 ' HE3' ' CE2' ' A' ' 112' ' ' TYR . 6.9 ptmt -157.13 108.8 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 37' ' ' LYS . 10.3 tt0 -34.39 117.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.69 -37.84 1.74 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.43 117.21 2.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 111.083 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.649 ' O ' HG23 ' A' ' 42' ' ' ILE . 3.0 p90 -135.32 160.89 37.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.649 HG23 ' O ' ' A' ' 41' ' ' PHE . 15.9 pt -162.11 153.88 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.432 HG22 HG12 ' A' ' 54' ' ' ILE . 96.0 t -116.66 105.19 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.763 ' HB3' HD11 ' A' ' 23' ' ' ILE . 8.3 ptm180 -108.31 164.74 12.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -95.89 134.78 38.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 48' ' ' HIS . 1.9 t -66.48 95.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.789 -179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' SER . 1.5 ttm180 -37.86 -26.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.591 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.5 OUTLIER -72.58 -61.86 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.826 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.591 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 56.7 tp -123.63 166.91 14.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.475 ' N ' ' HG ' ' A' ' 49' ' ' LEU . . . -74.16 43.77 1.28 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.467 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 t -101.44 -177.19 3.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.943 0.401 . . . . 0.0 110.821 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.544 ' CB ' HD12 ' A' ' 73' ' ' ILE . 61.6 m-85 -128.83 153.22 47.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.489 HG23 ' C ' ' A' ' 71' ' ' TYR . 36.4 m -150.79 130.13 12.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.432 HG12 HG22 ' A' ' 43' ' ' VAL . 23.0 mt -92.81 121.99 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 m -105.72 102.5 11.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.817 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.504 HG22 ' CB ' ' A' ' 41' ' ' PHE . 25.0 t -103.15 152.4 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.1 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.404 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 45.0 t80 -97.75 110.23 22.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.471 ' HG3' ' CE ' ' A' ' 69' ' ' LYS . 4.6 mmt -76.46 -56.94 4.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.716 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . 101.31 112.59 3.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.438 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.71 170.27 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 111.049 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -58.56 -48.22 81.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.2 mmt180 -105.39 142.2 35.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.6 t -52.56 -41.94 64.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.1 t -48.41 -19.28 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -121.28 157.68 29.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.71 171.05 9.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.716 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -151.4 126.91 10.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.8 mt -137.08 132.18 46.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.064 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.551 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 11.1 mptt -104.09 158.22 16.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -126.79 106.74 9.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.551 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 4.8 m-85 -103.44 108.02 19.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -81.2 123.17 28.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.544 HD12 ' CB ' ' A' ' 52' ' ' TYR . 34.6 mt -78.04 105.91 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -100.17 175.21 5.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.572 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 1.3 ttmp? -124.43 139.26 54.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -92.5 -177.45 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.867 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t0 -55.63 -32.13 62.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.403 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 2.2 m -81.1 16.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.475 ' HA2' ' CD ' ' A' ' 75' ' ' LYS . . . 48.27 39.19 20.43 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.546 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.505 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 75.7 mt-30 -111.99 145.03 40.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.572 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 72.3 m95 -82.57 131.44 35.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.945 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.442 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 21.2 p90 -145.53 159.67 42.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.74 HG23 HD11 ' A' ' 95' ' ' LEU . 85.4 t -127.96 -51.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.224 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -77.82 5.2 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 2.3 mt-10 56.56 24.98 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -134.06 -32.98 1.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.826 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 23.5 m-70 -117.92 123.75 46.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -117.15 141.97 47.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 14.2 m-85 -119.09 -177.96 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -103.79 -23.78 13.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.5 m -132.59 148.95 52.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.707 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 13.1 mm -58.79 -48.44 96.81 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.592 0.711 . . . . 0.0 111.108 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.707 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.8 Cg_endo -69.7 0.45 5.58 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.736 2.291 . . . . 0.0 112.393 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -98.61 -37.93 9.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.74 HD11 HG23 ' A' ' 83' ' ' VAL . 1.6 tt -59.76 -37.43 78.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.682 HG23 HD12 ' A' ' 110' ' ' LEU . 12.2 mm -87.65 -15.62 9.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -56.94 -46.59 81.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -86.2 -49.82 7.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -41.49 -42.58 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -52.66 -39.83 62.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -85.21 -38.2 19.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -151.25 105.25 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.71 ' HB2' ' HA ' ' A' ' 109' ' ' ARG . . . -67.03 81.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.56 80.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.053 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 106' ' ' LEU . . . 173.56 38.39 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.541 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 105' ' ' GLY . 13.4 tp 35.15 49.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.967 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 16.9 tpp -148.59 152.87 37.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 51.6 m -39.81 141.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.096 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.71 ' HA ' ' HB2' ' A' ' 103' ' ' ALA . 13.4 ptt180 -98.58 140.05 33.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.682 HD12 HG23 ' A' ' 96' ' ' ILE . 14.1 mt -63.03 116.75 5.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.461 ' HG3' ' CD1' ' A' ' 112' ' ' TYR . 4.3 ptp180 -122.32 -37.47 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.587 ' CE2' ' HE3' ' A' ' 37' ' ' LYS . 11.7 m-85 -107.79 83.82 1.8 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.766 0.793 . . . . 0.0 110.963 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 79.66 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.642 2.228 . . . . 0.0 112.381 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.457 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 94.8 t -38.05 118.87 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.085 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.18 164.3 54.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.573 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.6 mt -69.15 -62.51 1.35 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.369 . . . . 0.0 110.88 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 118' ' ' GLY . 2.4 ptt? -35.13 -40.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.447 ' N ' ' HG3' ' A' ' 117' ' ' MET . . . 34.77 -111.49 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.451 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 74.9 p -174.96 140.93 0.56 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.842 0.353 . . . . 0.0 110.891 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.8 m -155.69 172.41 18.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 159.34 92.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.437 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 146.42 60.13 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.718 2.279 . . . . 0.0 112.336 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 23.2 m -100.58 -52.96 3.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.4 p -104.13 177.26 4.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.5 p -123.84 139.69 53.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.358 . . . . 0.0 110.9 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.5 p -156.37 146.09 20.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 73.75 41.36 42.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 4' ' ' GLY . 61.1 m 35.92 42.52 0.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.938 0.399 . . . . 0.0 110.856 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m -47.61 -51.81 20.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 39.02 -141.18 0.54 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.402 ' C ' ' HD3' ' A' ' 9' ' ' LYS . 9.0 m120 -143.92 164.52 30.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.339 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -147.76 177.55 9.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 9' ' ' LYS . 49.3 mt -36.65 127.96 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.448 ' O ' HG22 ' A' ' 11' ' ' THR . 8.5 m -125.91 44.07 2.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -72.14 125.43 27.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.589 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 22.0 mt -102.98 -31.24 10.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -44.63 -45.28 9.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.524 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 43.4 pt -41.36 -34.48 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.179 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.601 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 19.9 m-85 -81.1 170.46 16.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -106.19 -37.38 6.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.918 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.43 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 14.3 p-90 -63.56 -17.01 62.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.589 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 10.1 t80 -84.6 75.97 10.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -66.44 93.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 42.6 ptt85 -92.0 152.77 19.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.9 t30 74.15 41.5 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 15.2 pt -134.47 177.9 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.446 ' O ' ' C ' ' A' ' 25' ' ' ARG . 10.1 t -136.42 163.89 29.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' THR . 56.6 ttp180 -34.28 -55.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -49.55 -55.29 13.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -54.24 -58.72 6.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.2 -58.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.636 ' HA ' HD12 ' A' ' 32' ' ' LEU . 24.1 mt-10 -60.73 -57.13 14.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -41.31 -66.04 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.3 mt -37.87 -42.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.638 HD11 ' HB3' ' A' ' 55' ' ' SER . 9.5 mt -71.33 -50.71 29.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.6 mmt85 -50.88 -39.93 55.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -60.0 -47.46 85.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.46 -51.82 67.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.0 m 61.81 42.39 10.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.533 ' HE2' ' CG ' ' A' ' 112' ' ' TYR . 5.2 pttm -139.31 110.04 6.71 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 37' ' ' LYS . 52.5 tt0 -37.5 145.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 40' ' ' ALA . . . 104.0 -50.16 0.89 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.499 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . -33.01 116.06 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 111.08 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 42' ' ' ILE . 8.2 p90 -133.3 161.12 35.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 41' ' ' PHE . 24.9 pt -160.41 153.25 4.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.2 t -116.19 109.55 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.182 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.502 HH12 ' CE1' ' A' ' 70' ' ' HIS . 17.4 ptt180 -95.79 166.58 11.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.805 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -100.91 117.09 34.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.797 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.3 m -56.48 129.7 41.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 48' ' ' HIS . 6.7 ppt_? -78.52 -39.57 37.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.4 p80 -57.76 -38.48 75.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.577 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 4.1 tp -156.76 177.09 11.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.58 44.51 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.543 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.7 m -96.21 -178.96 4.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.934 0.397 . . . . 0.0 110.845 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -138.42 153.39 48.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.922 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.2 m -146.3 132.72 19.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.8 mt -95.78 126.85 48.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.638 ' HB3' HD11 ' A' ' 32' ' ' LEU . 4.7 m -111.2 97.18 6.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.577 HG22 ' CB ' ' A' ' 41' ' ' PHE . 37.5 t -97.33 152.87 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.411 ' N ' ' CG1' ' A' ' 56' ' ' VAL . 56.2 t80 -100.46 116.73 33.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.3 mmt -88.04 -59.52 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.463 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . 92.85 136.82 7.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.77 163.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.817 0.342 . . . . 0.0 111.09 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.9 mmt-85 -93.38 -59.87 1.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.858 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -131.12 44.75 2.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.3 m -156.96 165.97 34.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.814 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 m -83.37 39.25 0.65 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -106.97 -177.18 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -129.93 171.3 12.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -156.19 136.21 12.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.5 mt -137.74 132.5 44.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 2.7 mptm? -102.19 160.15 14.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.502 ' CE1' HH12 ' A' ' 44' ' ' ARG . 95.9 m-70 -132.49 105.78 7.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 4.5 m-85 -104.21 103.95 13.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -78.09 112.29 14.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.497 HG12 HG22 ' A' ' 83' ' ' VAL . 33.1 mt -74.34 107.27 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.6 mtmt -96.45 175.58 6.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -128.21 145.75 50.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.475 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -100.73 -175.66 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -31.9 66.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.414 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 3.0 m -81.3 19.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 46.19 41.06 10.98 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.481 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 44.8 mt-30 -113.37 135.55 53.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.764 0.316 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -81.91 131.63 35.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 20.3 p90 -144.18 149.92 37.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.72 HG23 HD11 ' A' ' 95' ' ' LEU . 98.2 t -112.84 -52.29 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.211 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.15 17.95 2.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.124 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 14.5 tt0 43.39 27.59 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.7 mmm-85 -130.89 -30.85 1.77 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -121.27 108.68 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -99.24 135.7 40.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 80.8 m-85 -111.79 -174.97 2.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.795 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -105.69 -28.11 10.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 m -136.04 152.49 50.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.71 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.6 mm -58.71 -48.25 97.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.66 0.743 . . . . 0.0 111.163 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.71 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.1 Cg_endo -69.73 -2.84 10.85 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.268 . . . . 0.0 112.344 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -94.64 -40.46 9.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.72 HD11 HG23 ' A' ' 83' ' ' VAL . 2.9 tt -58.09 -37.55 74.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.566 HD13 HD23 ' A' ' 95' ' ' LEU . 11.6 mm -85.5 -19.71 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.416 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.5 t-105 -53.62 -48.05 69.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -83.4 -49.23 9.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 104' ' ' ALA . 0.3 OUTLIER -37.86 -36.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.846 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -57.3 -62.12 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -65.36 -49.65 68.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -124.54 116.82 23.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.6 114.7 3.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.444 ' HB3' ' CE1' ' A' ' 99' ' ' HIS . . . -120.26 75.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 106' ' ' LEU . . . 133.94 -90.85 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.715 HD23 ' H ' ' A' ' 106' ' ' LEU . 0.8 OUTLIER -36.86 156.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 64.3 mtm -86.74 36.83 0.72 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.504 ' O ' ' CD1' ' A' ' 106' ' ' LEU . 11.1 t -175.71 155.73 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.121 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 110' ' ' LEU . 16.3 ttp180 -100.41 104.75 16.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.551 HD13 ' CZ ' ' A' ' 41' ' ' PHE . 24.8 mt -33.48 116.89 0.27 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.409 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 0.1 OUTLIER -107.21 -56.58 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.846 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.533 ' CG ' ' HE2' ' A' ' 37' ' ' LYS . 11.8 m-85 -103.15 95.47 6.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.651 0.739 . . . . 0.0 110.915 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 112' ' ' TYR . 54.0 Cg_endo -69.71 79.58 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.61 2.207 . . . . 0.0 112.384 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.424 HG21 ' HB1' ' A' ' 40' ' ' ALA . 96.3 t -49.01 113.95 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.114 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -106.57 169.47 15.36 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 115' ' ' GLY . 11.0 mp -33.67 -54.21 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 11.4 ptt? -51.33 89.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 116' ' ' LEU . . . -132.9 -75.54 0.1 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.547 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.6 t -173.05 179.24 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 44.3 t -133.45 -62.96 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 56.1 84.08 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.465 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 152.64 69.2 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.67 2.247 . . . . 0.0 112.314 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.7 t -119.93 42.44 2.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.4 m -58.7 133.97 56.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m -140.81 119.35 12.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.838 0.352 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -97.94 169.03 9.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.93 123.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 m -91.49 -43.86 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.854 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 t -100.26 153.55 19.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.42 50.21 0.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -123.07 82.5 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.917 0.389 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -130.47 177.5 7.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.2 mt -58.72 150.71 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.2 p -107.58 87.08 2.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -94.6 110.14 21.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 21.3 mt -108.84 -29.81 8.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -49.33 -37.62 25.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.486 HG13 ' N ' ' A' ' 16' ' ' TYR . 12.2 pt -53.41 -29.75 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.486 ' N ' HG13 ' A' ' 15' ' ' ILE . 61.5 m-85 -83.79 -179.95 7.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.949 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -113.22 -36.23 5.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.416 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 11.5 p-90 -67.89 -2.98 8.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 19.8 t80 -97.87 84.05 3.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -78.49 97.89 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.801 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 12.3 ptm180 -104.84 160.05 15.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.8 t30 64.97 43.27 3.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.414 HD11 ' HB3' ' A' ' 44' ' ' ARG . 14.9 pt -126.48 178.42 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.193 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -128.22 159.55 34.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -38.77 -42.55 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -60.87 -46.1 91.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -59.09 -55.1 39.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.14 -61.54 1.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -63.05 -58.39 7.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.9 t60 -39.41 -58.25 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.2 mt -44.32 -54.32 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.1 mt -60.39 -50.26 74.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 43.9 mmm-85 -41.85 -44.71 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -59.23 -46.14 89.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -40.91 91.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.402 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 71.3 m 45.01 44.31 8.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.816 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.588 ' HE3' ' CE2' ' A' ' 112' ' ' TYR . 1.9 ptmt -150.47 146.16 26.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -65.21 139.39 58.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.53 -44.67 1.43 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -43.22 119.6 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.492 ' O ' HG23 ' A' ' 42' ' ' ILE . 4.4 p90 -144.9 159.64 42.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 41' ' ' PHE . 12.0 pt -157.41 165.02 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.48 HG22 HG12 ' A' ' 54' ' ' ILE . 87.8 t -123.18 113.52 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.414 ' HB3' HD11 ' A' ' 23' ' ' ILE . 31.5 ptt180 -108.98 159.55 16.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.98 138.95 30.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' LEU . 74.5 m -74.44 134.75 42.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 -79.18 -42.77 25.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.3 p80 -55.78 -36.69 67.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.517 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 7.2 tp -158.45 176.89 11.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.42 47.05 1.68 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.471 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.9 t -99.79 -177.75 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.965 0.412 . . . . 0.0 110.802 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.484 ' CB ' HD12 ' A' ' 73' ' ' ILE . 93.1 m-85 -133.49 147.1 51.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.923 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.1 m -142.52 128.11 19.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.48 HG12 HG22 ' A' ' 43' ' ' VAL . 18.3 mt -93.26 146.98 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.6 m -129.35 106.89 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.799 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.496 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 18.4 t -103.99 157.36 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.719 ' HE1' ' HB1' ' A' ' 66' ' ' ALA . 72.1 t80 -103.15 107.57 18.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.4 mmt -74.61 -56.39 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.488 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . 95.99 106.66 2.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.82 160.84 19.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -79.08 -53.05 7.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 27.0 mtt-85 -49.61 169.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.944 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.5 t -89.14 146.31 24.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.822 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 64' ' ' THR . 6.7 m 65.03 38.56 6.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.138 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -135.69 163.49 30.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.82 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.719 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . -150.55 143.38 24.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.12 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.488 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -122.23 130.21 52.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.5 mt -133.93 129.79 54.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -101.46 169.6 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -141.04 105.46 4.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.477 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 10.7 m-85 -98.86 117.55 33.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -87.42 111.74 21.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.484 HD12 ' CB ' ' A' ' 52' ' ' TYR . 55.1 mt -68.73 105.81 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -97.87 174.14 6.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.528 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 14.7 ttmt -128.29 131.52 48.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 76' ' ' ASN . 40.5 p30 -77.75 179.19 6.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -58.48 -33.49 69.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -72.82 -11.96 60.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.17 35.28 21.38 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -107.63 139.81 41.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.528 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 79.8 m95 -79.87 123.16 27.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.5 p90 -144.34 148.46 34.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.954 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.596 HG23 HD11 ' A' ' 95' ' ' LEU . 84.2 t -118.25 -51.48 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.143 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 86' ' ' ARG . . . -83.17 23.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 84' ' ' ALA . 1.1 pp20? 33.11 32.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 84' ' ' ALA . 17.7 mmt180 -134.06 -26.62 1.49 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -131.5 108.36 9.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -98.53 140.56 32.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.533 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 32.6 m-85 -121.37 -178.85 3.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -106.47 -24.82 12.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.1 m -130.6 149.24 52.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.713 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.6 mm -59.34 -48.04 96.87 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 111.192 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.713 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.76 1.48 4.4 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.692 2.262 . . . . 0.0 112.398 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 7.0 mm-40 -99.61 -40.22 7.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -57.66 -34.94 69.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.4 mm -86.86 -19.87 7.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.412 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.8 t-105 -53.93 -41.1 67.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.931 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -90.37 -44.57 9.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.462 ' CE1' ' H ' ' A' ' 105' ' ' GLY . 2.1 t-80 -43.32 -36.69 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.849 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -66.08 -51.65 56.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -63.3 -40.56 97.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -135.41 141.94 45.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.926 ' HB2' ' HB2' ' A' ' 109' ' ' ARG . . . -69.44 97.45 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -93.67 -40.17 10.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.462 ' H ' ' CE1' ' A' ' 99' ' ' HIS . . . -63.5 -77.46 0.22 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 108' ' ' THR . 6.8 tp -138.64 174.03 10.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.458 ' HG3' ' N ' ' A' ' 108' ' ' THR . 5.2 ptm -33.82 -33.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 106' ' ' LEU . 14.7 m -79.73 131.41 35.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.926 ' HB2' ' HB2' ' A' ' 103' ' ' ALA . 37.0 ttp85 -110.4 124.57 51.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.445 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 12.6 mt -50.35 101.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -116.43 -30.01 6.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.588 ' CE2' ' HE3' ' A' ' 37' ' ' LYS . 23.3 m-85 -111.76 82.9 4.2 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.701 0.762 . . . . 0.0 110.855 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 79.68 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.613 2.209 . . . . 0.0 112.409 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.413 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 41.2 t -42.53 105.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.88 163.67 50.15 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.531 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.6 mt -51.0 -61.9 1.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.738 0.304 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 5.2 ptp -51.78 -56.28 14.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 77.94 -57.83 3.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.51 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 t -138.12 108.81 6.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.836 0.351 . . . . 0.0 110.816 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 t -173.25 150.75 1.94 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -139.94 118.5 1.48 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 157.77 59.16 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.731 2.287 . . . . 0.0 112.313 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 34.1 p -101.79 -53.42 2.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.5 m -98.17 161.02 13.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.551 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -39.45 149.78 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.351 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.2 m -60.31 88.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.09 158.66 1.65 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.443 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 m -143.95 170.61 15.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.887 0.375 . . . . 0.0 110.822 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -121.59 117.29 26.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.62 -148.82 18.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.567 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -40.03 150.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.895 0.379 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 10' ' ' ILE . 8.3 mtmp? -142.62 132.99 24.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' LYS . 33.6 mm -37.33 132.08 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.4 m -123.49 86.27 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 53.7 m-20 -86.86 117.33 25.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.566 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 86.7 mt -115.6 -35.78 4.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.491 ' OE2' ' CZ ' ' A' ' 21' ' ' ARG . 4.0 mt-10 -49.66 -39.96 38.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.473 HG13 ' N ' ' A' ' 16' ' ' TYR . 31.9 pt -49.57 -32.81 7.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.473 ' N ' HG13 ' A' ' 15' ' ' ILE . 43.8 m-85 -79.77 179.39 7.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -113.55 -38.89 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 14.7 p-90 -65.01 -5.53 6.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 27.4 t80 -97.17 82.5 3.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 19.4 m-70 -79.75 87.1 5.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 11.4 ptt180 -89.42 165.45 14.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.8 t30 62.46 40.92 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.793 HD11 ' HE ' ' A' ' 44' ' ' ARG . 15.2 pt -128.86 174.62 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.137 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.1 p -119.2 179.0 4.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -37.36 76.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.2 t30 -68.55 -41.43 79.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -57.78 -54.72 43.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.34 -64.52 0.77 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.141 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -54.74 -56.16 22.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -42.65 -64.08 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 53.1 mt -39.98 -46.15 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD21 HG12 ' A' ' 42' ' ' ILE . 51.0 mt -64.73 -56.98 10.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' LEU . 52.4 mmm-85 -36.9 -49.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.821 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -52.16 -43.84 64.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LEU . 3.2 mm-40 -68.98 -51.89 34.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 89.2 p 52.29 54.79 10.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HG2' ' HB3' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -157.62 125.37 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -41.12 144.42 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 41' ' ' PHE . . . 108.61 -46.96 1.09 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.48 96.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.341 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.633 ' C ' ' CD1' ' A' ' 41' ' ' PHE . 0.3 OUTLIER -123.71 132.02 53.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.708 ' O ' HG23 ' A' ' 54' ' ' ILE . 1.1 pt -127.83 165.12 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.944 HG22 HG12 ' A' ' 54' ' ' ILE . 22.8 t -140.55 133.19 32.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.053 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.793 ' HE ' HD11 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -138.52 174.93 10.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.19 138.2 31.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 48' ' ' HIS . 2.0 m -88.11 74.47 8.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 47' ' ' ARG . 5.9 mmm180 -35.05 -31.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -56.19 -53.94 51.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.577 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.2 tp -137.25 173.61 11.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.59 46.22 1.64 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.469 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.7 m -125.65 -176.96 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.811 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -132.48 167.07 20.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 81.4 m -147.26 139.52 24.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.944 HG12 HG22 ' A' ' 43' ' ' VAL . 32.2 mt -117.45 133.86 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.082 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 t -110.13 112.8 25.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.557 HG22 ' CB ' ' A' ' 41' ' ' PHE . 17.2 t -111.42 132.25 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 53.8 t80 -80.43 112.23 17.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.9 mmt -82.67 -46.16 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.413 ' N ' ' HB3' ' A' ' 67' ' ' ALA . . . 87.69 110.92 1.0 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.481 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . -68.76 131.79 45.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.741 0.305 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -100.24 -59.05 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -39.12 -44.64 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.815 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 t -127.59 170.57 12.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.58 HG22 ' O ' ' A' ' 64' ' ' THR . 19.6 m -83.16 35.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 60' ' ' ALA . 38.3 mt-10 -95.11 -177.27 4.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.07 134.47 54.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.046 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.413 ' HB3' ' N ' ' A' ' 59' ' ' GLY . . . -116.43 122.84 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 30.8 mt -133.08 125.77 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -102.27 155.93 17.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -125.02 105.93 9.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -93.92 115.37 27.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -89.46 124.25 34.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 54' ' ' ILE . 31.2 mt -86.69 104.92 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -95.99 174.15 7.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.479 ' CD ' ' HA2' ' A' ' 79' ' ' GLY . 1.1 ttmp? -124.36 138.6 54.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.556 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -91.27 -176.89 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -55.83 -33.4 64.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.13 12.25 2.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.832 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.479 ' HA2' ' CD ' ' A' ' 75' ' ' LYS . . . 53.54 36.61 54.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.556 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 47.6 mt-30 -108.61 142.42 39.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.42 ' CZ2' ' HE3' ' A' ' 75' ' ' LYS . 76.3 m95 -79.93 138.62 37.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.519 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 4.6 p90 -154.45 145.01 22.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.515 HG23 HD11 ' A' ' 95' ' ' LEU . 67.6 t -110.92 -48.01 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -82.5 4.41 24.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.12 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.519 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 15.6 tt0 55.66 25.07 7.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -131.17 -32.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -122.14 108.49 13.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -98.75 145.64 26.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.491 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 41.6 m-85 -121.05 -174.89 2.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -107.39 -23.36 12.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.7 m -135.78 149.69 49.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.707 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 13.7 mm -58.45 -48.56 96.71 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.682 0.753 . . . . 0.0 111.131 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.707 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.2 Cg_endo -69.7 -3.34 11.78 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.727 2.285 . . . . 0.0 112.383 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 13.8 mm-40 -94.0 -39.57 10.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.515 HD11 HG23 ' A' ' 83' ' ' VAL . 1.5 tt -58.79 -35.39 72.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.526 HG22 ' HG2' ' A' ' 100' ' ' GLN . 7.6 mm -88.2 -14.93 9.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.409 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.9 t-105 -58.99 -43.59 91.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -91.88 -53.63 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.623 ' CE1' ' HB3' ' A' ' 104' ' ' ALA . 1.7 m80 -45.37 -26.68 0.57 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.864 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.526 ' HG2' HG22 ' A' ' 96' ' ' ILE . 5.4 mm-40 -52.73 -37.92 59.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.977 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -107.99 -47.78 3.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.452 ' O ' ' HB3' ' A' ' 103' ' ' ALA . 7.3 m120 -64.67 -40.28 95.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.572 ' HB2' ' HA ' ' A' ' 109' ' ' ARG . . . 69.6 34.16 2.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.623 ' HB3' ' CE1' ' A' ' 99' ' ' HIS . . . -53.25 130.56 35.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.516 ' C ' HD12 ' A' ' 106' ' ' LEU . . . 115.1 -39.7 2.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.428 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.516 HD12 ' C ' ' A' ' 105' ' ' GLY . 5.6 mp -147.81 173.52 12.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.81 0.338 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.17 -41.8 63.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 69.9 m -67.09 136.82 55.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.105 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.572 ' HA ' ' HB2' ' A' ' 103' ' ' ALA . 26.4 ptt180 -96.29 132.27 41.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 65.4 mt -54.99 102.13 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 -132.88 178.06 7.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.43 ' N ' ' CD ' ' A' ' 113' ' ' PRO . 5.9 m-85 45.36 55.03 14.23 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.64 0.734 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.569 ' HB3' ' CE2' ' A' ' 41' ' ' PHE . 54.6 Cg_endo -69.72 90.05 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.698 2.266 . . . . 0.0 112.312 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.42 ' C ' ' O ' ' A' ' 113' ' ' PRO . 79.1 t -35.31 130.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.0 165.65 49.36 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.525 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 117' ' ' MET . 12.5 mt -59.82 -60.78 3.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.449 ' C ' ' O ' ' A' ' 116' ' ' LEU . 56.9 mtm -34.46 -44.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 117' ' ' MET . . . 35.07 -119.35 0.35 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.9 t -148.91 143.45 26.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.899 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.3 p -83.22 178.24 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -163.93 164.48 36.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 134.4 27.83 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.66 2.24 . . . . 0.0 112.34 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 25.7 t -101.55 -58.91 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.1 m -118.18 109.42 16.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.531 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -109.99 -53.98 2.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 m -141.53 137.58 32.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.88 94.75 2.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.482 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.4 t -86.92 -47.8 8.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.906 0.384 . . . . 0.0 110.899 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.1 p -164.18 137.75 5.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.91 125.67 0.85 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -151.13 170.63 18.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -106.96 38.74 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.945 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 26.6 mm -66.23 -40.62 87.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.126 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.7 m -81.14 137.86 35.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -103.12 121.31 42.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.594 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 70.4 mt -127.31 -30.25 2.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -47.7 -41.55 22.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 16' ' ' TYR . 19.5 pt -48.02 -30.36 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 56.2 m-85 -80.76 173.93 12.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -109.36 -31.01 7.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 12.0 p-90 -75.68 4.02 8.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 22.1 t80 -107.45 78.92 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' A' ' 43' ' ' VAL . 49.8 m-70 -76.78 91.62 3.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 11.7 ptt180 -95.32 156.54 16.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.829 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 72.55 43.77 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.567 HD11 ' HE ' ' A' ' 44' ' ' ARG . 5.1 pt -134.31 -179.48 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -136.21 168.4 19.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 -38.82 -57.61 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.816 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -48.6 -48.84 38.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -62.11 -54.53 39.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.09 -64.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HG2' HD13 ' A' ' 68' ' ' ILE . 12.2 mt-10 -55.34 -51.27 67.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.45 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 2.6 t-160 -48.64 -66.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.832 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 30' ' ' HIS . 61.8 mt -36.62 -40.66 0.27 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.419 HD22 ' O ' ' A' ' 40' ' ' ALA . 62.2 mt -72.65 -52.39 15.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.929 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -41.71 -41.15 2.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.54 -43.55 79.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.666 ' OE1' ' HB2' ' A' ' 40' ' ' ALA . 9.7 mt-10 -68.64 -48.94 62.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.573 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 18.2 p 49.69 54.85 10.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.542 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 9.5 ptpt -161.06 118.56 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' LYS . 20.2 tt0 -33.34 136.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.473 ' HA3' ' CG ' ' A' ' 111' ' ' ARG . . . 112.37 -42.41 1.96 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.666 ' HB2' ' OE1' ' A' ' 35' ' ' GLU . . . -44.36 99.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 0.0 111.074 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.841 ' CG ' HD22 ' A' ' 110' ' ' LEU . 2.1 p90 -126.41 163.87 22.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.591 ' O ' HG23 ' A' ' 54' ' ' ILE . 22.0 pt -158.48 167.55 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.015 HG22 HG12 ' A' ' 54' ' ' ILE . 58.4 t -135.51 138.51 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.567 ' HE ' HD11 ' A' ' 23' ' ' ILE . 1.5 ptp85 -144.02 174.91 10.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.55 134.69 38.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.8 m -64.88 151.2 46.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -95.89 -40.8 9.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.528 ' NE2' HD12 ' A' ' 49' ' ' LEU . 4.3 p-80 -57.22 -42.41 81.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.528 HD12 ' NE2' ' A' ' 48' ' ' HIS . 37.2 mt -150.34 -175.11 4.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.61 40.53 2.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.539 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.8 t -99.27 -177.28 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.931 0.396 . . . . 0.0 110.878 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.582 ' HB3' HD12 ' A' ' 73' ' ' ILE . 83.9 m-85 -131.11 158.18 41.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.98 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.543 HG22 HH12 ' A' ' 44' ' ' ARG . 94.5 m -146.57 139.96 25.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.178 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 1.015 HG12 HG22 ' A' ' 43' ' ' VAL . 51.4 mt -118.5 128.9 75.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.189 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.472 ' N ' HH22 ' A' ' 44' ' ' ARG . 38.8 m -107.23 114.4 28.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.512 HG22 ' HB2' ' A' ' 41' ' ' PHE . 20.0 t -108.22 136.67 43.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.573 ' CE2' ' HA ' ' A' ' 36' ' ' SER . 39.0 t80 -87.6 116.38 25.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.59 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 2.7 mmt -72.81 -59.01 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 118.25 134.92 5.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -87.91 85.97 7.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.786 0.326 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 63' ' ' SER . 5.8 mmp_? -84.9 76.28 10.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 38.73 26.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 61' ' ' ARG . 2.4 m -121.23 -60.64 1.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 65' ' ' GLU . 63.8 p -139.29 135.5 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 66' ' ' ALA . 0.5 OUTLIER -41.69 164.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.823 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.483 ' C ' ' O ' ' A' ' 65' ' ' GLU . . . -29.81 117.42 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.59 ' HB3' ' HB2' ' A' ' 58' ' ' MET . . . -104.34 135.35 45.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.404 HD13 ' HG2' ' A' ' 29' ' ' GLU . 29.4 mt -137.51 126.63 34.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -101.24 163.73 12.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -133.93 104.63 6.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -97.7 114.69 26.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -83.76 134.32 34.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.582 HD12 ' HB3' ' A' ' 52' ' ' TYR . 21.3 mt -95.17 113.26 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -106.29 170.03 8.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.529 ' HE2' ' CZ2' ' A' ' 81' ' ' TRP . 23.6 ttmt -115.8 138.64 50.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.449 ' C ' ' OD1' ' A' ' 76' ' ' ASN . 18.1 p-10 -84.33 -177.27 6.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -62.48 -35.13 78.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.794 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.0 m -84.74 18.44 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.7 53.61 42.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.633 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 47.4 mt-30 -122.12 134.97 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.955 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.529 ' CZ2' ' HE2' ' A' ' 75' ' ' LYS . 80.7 m95 -79.82 132.07 36.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 13.4 p90 -151.51 149.15 28.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.557 HG23 HD11 ' A' ' 95' ' ' LEU . 64.8 t -116.2 -50.57 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.076 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.8 -1.2 26.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.2 mt-10 59.21 24.96 13.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -130.76 -31.73 1.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -122.79 103.08 8.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.849 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.633 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -91.52 143.45 26.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.538 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 62.0 m-85 -119.74 -176.27 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -109.0 -23.09 11.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -136.62 150.87 48.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.8 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.702 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.8 mm -58.85 -48.72 96.27 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.679 0.752 . . . . 0.0 111.182 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.702 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.9 Cg_endo -69.78 1.21 4.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.258 . . . . 0.0 112.347 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -100.11 -37.5 8.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.97 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.557 HD11 HG23 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -60.49 -36.58 78.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.978 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.487 HG23 ' CD1' ' A' ' 110' ' ' LEU . 12.2 mm -88.15 -13.68 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -59.08 -41.1 87.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -90.89 -51.01 5.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -37.74 -47.29 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.41 ' HG3' HG22 ' A' ' 96' ' ' ILE . 52.9 mt-30 -49.57 -50.07 43.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -67.44 -49.22 64.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -141.23 117.94 11.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.71 92.16 0.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.101 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.06 107.25 4.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 93.21 -43.95 2.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.438 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 106' ' ' LEU . 4.5 mp -81.24 149.25 29.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.794 0.33 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 40.2 ttm -74.04 -63.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 25.5 m -75.85 133.1 40.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.7 ptt180 -104.52 138.31 41.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.762 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.841 HD22 ' CG ' ' A' ' 41' ' ' PHE . 28.2 mt -53.82 114.99 1.77 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.473 ' CG ' ' HA3' ' A' ' 39' ' ' GLY . 9.4 ptp180 -120.05 -42.49 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.542 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 3.5 m-85 -107.77 83.53 1.69 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.66 0.743 . . . . 0.0 110.927 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 80.51 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.718 2.278 . . . . 0.0 112.321 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.576 HG22 ' CD ' ' A' ' 35' ' ' GLU . 72.7 t -45.73 107.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -94.52 171.59 30.77 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.7 mp -54.51 -62.57 1.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -50.79 -52.66 38.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 60.36 -106.68 1.1 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.544 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 36.9 m -109.7 112.72 24.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.921 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.3 t -96.32 -45.8 6.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 121.26 -175.24 16.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.539 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 115.32 4.04 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.634 2.223 . . . . 0.0 112.35 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 58.8 m -96.74 175.53 6.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 39.6 t -171.84 145.21 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m -81.6 -45.14 16.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.382 . . . . 0.0 110.868 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -102.21 98.95 9.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.81 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.65 -61.4 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.432 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.9 p -142.41 119.29 11.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.817 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -131.93 -44.53 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.896 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.31 -162.29 30.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.416 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -112.97 -55.19 2.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.976 0.417 . . . . 0.0 110.887 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -75.5 84.27 2.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 11' ' ' THR . 38.2 mm -60.51 152.02 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 10' ' ' ILE . 32.6 m -108.06 130.87 55.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -104.09 120.6 41.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.498 HD21 ' HD3' ' A' ' 93' ' ' PRO . 92.5 mt -125.29 -34.11 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.962 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -45.21 -39.84 6.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.471 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 35.9 pt -46.35 -35.49 2.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 19.6 m-85 -79.64 175.0 11.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -107.84 -44.27 4.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.45 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 18.4 p-90 -56.34 -20.34 18.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 9.5 t80 -81.62 76.42 8.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.464 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 8.1 m-70 -73.23 108.17 5.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.849 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 ptt-85 -107.35 154.06 21.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.5 t30 75.0 44.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.0 pt -137.34 178.48 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 25' ' ' ARG . 14.8 t -137.14 166.82 22.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' THR . 14.7 ttt-85 -35.89 -57.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -48.62 -52.74 21.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.417 ' HG2' HG22 ' A' ' 24' ' ' THR . 17.7 mm100 -56.61 -56.13 25.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.97 -64.89 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.92 -43.98 73.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 31' ' ' LEU . 7.6 t60 -54.6 -66.06 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' HIS . 98.4 mt -35.9 -44.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.7 -53.87 19.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.8 mmm-85 -40.33 -45.68 2.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -56.24 -45.86 79.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -67.78 -44.26 77.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.585 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 24.6 p 49.24 42.59 21.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.624 ' CE ' ' CE2' ' A' ' 112' ' ' TYR . 0.3 OUTLIER -134.9 124.79 25.54 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -50.37 134.5 23.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.02 -44.4 1.5 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.29 121.51 1.16 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 14.2 p90 -140.69 155.92 46.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 8.0 pt -146.97 163.13 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.059 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.93 HG22 HG12 ' A' ' 54' ' ' ILE . 89.8 t -134.16 120.86 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.093 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.611 HH12 HG22 ' A' ' 53' ' ' THR . 1.9 ptp85 -120.37 174.91 6.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -98.03 128.18 44.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' ARG . 1.7 m -84.43 72.31 10.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.856 -179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' SER . 38.0 mmt180 -35.43 -36.96 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.8 OUTLIER -46.89 -56.35 6.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.82 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.646 HD23 ' H ' ' A' ' 50' ' ' GLY . 0.7 OUTLIER -136.5 171.97 13.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.646 ' H ' HD23 ' A' ' 49' ' ' LEU . . . -74.16 48.25 1.73 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.2 m -126.9 -177.27 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 0.0 110.882 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -132.41 171.93 13.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.944 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.611 HG22 HH12 ' A' ' 44' ' ' ARG . 91.1 m -150.4 144.29 25.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.93 HG12 HG22 ' A' ' 43' ' ' VAL . 28.9 mt -125.31 122.83 63.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.454 ' N ' HH22 ' A' ' 44' ' ' ARG . 44.0 m -102.79 111.84 24.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.9 t -104.45 139.3 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.585 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 41.1 t80 -87.43 112.31 22.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.5 mmt -80.88 -49.45 11.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 60' ' ' ALA . . . 118.9 118.4 2.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.487 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 59' ' ' GLY . . . -33.01 120.6 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.719 0.295 . . . . 0.0 111.164 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.6 mmt85 -81.41 42.92 0.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 37.96 35.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.0 t -118.61 -61.04 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.61 HG22 ' HG2' ' A' ' 65' ' ' GLU . 16.6 m -123.86 -66.47 0.99 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.152 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.61 ' HG2' HG22 ' A' ' 64' ' ' THR . 2.0 pt-20 -161.36 -179.16 7.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.565 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . -39.47 153.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.09 126.73 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.1 mt -135.74 127.49 45.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.577 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 2.6 mptm? -101.5 161.3 13.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.947 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -126.24 104.72 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 5.0 m-85 -101.86 107.17 18.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -83.79 125.39 31.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.92 HD11 HD11 ' A' ' 54' ' ' ILE . 31.4 mt -86.13 107.23 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.467 ' NZ ' ' CE1' ' A' ' 82' ' ' TYR . 3.1 mtmp? -101.07 -176.09 3.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.982 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -127.61 146.26 50.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.496 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -101.74 -174.74 2.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -56.91 -33.04 66.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -81.0 16.01 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.805 -179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 49.41 40.55 31.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.563 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 69.3 mt-30 -114.79 143.0 45.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.895 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 85.3 m95 -80.25 138.4 36.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.57 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 46.9 p90 -154.79 161.03 41.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 90.3 t -126.39 -48.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.437 ' HB2' ' HA3' ' A' ' 105' ' ' GLY . . . -78.0 -5.68 52.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 mt-10 66.91 25.0 9.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.968 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -134.85 -33.45 0.94 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.5 m-70 -115.58 111.74 21.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -106.24 141.07 38.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.075 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.582 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 50.9 m-85 -115.32 -174.66 2.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -103.33 -29.05 11.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.945 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.428 ' HB2' ' CD ' ' A' ' 94' ' ' GLU . 3.5 m -134.76 153.32 52.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.714 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 14.5 mm -60.09 -48.04 95.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.714 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.74 -6.33 18.32 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.428 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.1 OUTLIER -92.64 -34.44 13.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.582 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.8 tt -61.95 -40.53 95.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.486 HG22 ' HG3' ' A' ' 100' ' ' GLN . 6.4 mm -84.65 -14.2 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.184 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -57.76 -45.0 86.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 99' ' ' HIS . 7.7 m-85 -89.86 -50.51 6.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.458 ' CE1' ' O ' ' A' ' 104' ' ' ALA . 4.3 m-70 -38.17 -44.29 0.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.486 ' HG3' HG22 ' A' ' 96' ' ' ILE . 67.7 mt-30 -52.0 -49.22 63.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -67.05 -45.37 77.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -141.57 128.24 20.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.649 ' HB2' ' HB3' ' A' ' 109' ' ' ARG . . . -62.6 116.3 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.458 ' O ' ' CE1' ' A' ' 99' ' ' HIS . . . -116.25 76.74 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.11 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.437 ' HA3' ' HB2' ' A' ' 84' ' ' ALA . . . 144.12 -48.4 0.74 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.49 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -111.16 156.5 21.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.775 0.322 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 8.4 tpt -57.8 -69.76 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 87.8 m -65.14 143.99 57.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.649 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 7.8 ptt-85 -113.06 150.66 31.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.571 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 11.2 mt -61.86 127.21 30.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.408 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 70.8 mtt180 -124.87 -47.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.624 ' CE2' ' CE ' ' A' ' 37' ' ' LYS . 73.9 m-85 -105.09 91.81 4.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.683 0.754 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 112' ' ' TYR . 53.6 Cg_endo -69.73 79.36 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 0.0 112.351 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 63.8 t -40.92 118.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -90.26 163.28 30.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.464 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.2 mt -61.96 -59.95 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.785 0.326 . . . . 0.0 110.902 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.451 ' C ' ' O ' ' A' ' 116' ' ' LEU . 11.8 mmt -34.34 -47.35 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 46.68 -147.11 3.14 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.7 p -109.45 -45.86 3.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.0 110.829 -179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.7 m -49.0 162.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.858 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -160.15 94.77 0.13 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 123' ' ' SER . 53.6 Cg_endo -69.75 -29.69 23.51 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.736 2.291 . . . . 0.0 112.31 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 122' ' ' PRO . 3.5 t -35.46 124.63 0.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.2 t -64.43 130.67 44.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.502 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -148.56 157.9 43.77 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.826 0.346 . . . . 0.0 110.833 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -113.54 -61.23 1.77 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.73 -158.91 22.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t 53.46 42.14 32.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.879 0.371 . . . . 0.0 110.928 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 t -111.14 145.5 38.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.12 91.69 0.37 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -99.71 129.11 45.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.914 0.388 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.5 mtpt -72.9 151.2 42.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.8 mt -59.04 135.54 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.178 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.7 m -131.97 83.55 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -77.93 109.21 11.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 27.0 mt -109.32 -29.82 8.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -48.5 -41.51 30.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 16' ' ' TYR . 16.1 pt -47.94 -27.88 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.459 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 55.3 m-85 -85.03 178.23 7.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -113.24 -35.6 5.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.408 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 11.2 p-90 -70.58 -0.3 8.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 13.8 t80 -100.73 80.27 2.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.474 ' NE2' HG12 ' A' ' 114' ' ' VAL . 45.5 m-70 -74.48 98.29 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 24.6 ptt180 -101.22 154.76 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 72.26 43.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 44' ' ' ARG . 16.6 pt -130.69 176.63 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.546 HG22 ' HG2' ' A' ' 27' ' ' GLN . 13.4 t -131.02 164.13 26.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.0 tpp180 -34.66 -59.63 0.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -47.41 -51.13 20.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.546 ' HG2' HG22 ' A' ' 24' ' ' THR . 13.0 mm100 -54.43 -57.31 11.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.57 -60.16 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.466 ' HA ' HD12 ' A' ' 32' ' ' LEU . 20.5 mt-10 -61.03 -59.69 4.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 33' ' ' ARG . 68.7 t60 -42.96 -64.86 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.789 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 30' ' ' HIS . 19.9 mt -35.95 -40.75 0.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 55' ' ' SER . 6.7 mt -76.29 -43.85 39.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 30' ' ' HIS . 21.3 mmt85 -52.94 -39.73 63.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -55.51 -46.44 76.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -66.13 -51.14 60.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.9 m 61.35 51.2 4.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.38 148.64 32.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -71.49 117.03 12.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.995 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.88 -38.3 1.92 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.24 112.66 0.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.339 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.474 ' CB ' HG22 ' A' ' 56' ' ' VAL . 4.3 p90 -132.88 159.3 40.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.472 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 21.4 pt -156.73 161.61 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.162 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.1 t -125.17 108.23 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.677 ' HB3' HD11 ' A' ' 23' ' ' ILE . 20.5 ptt85 -103.65 169.35 8.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -99.2 135.28 40.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.5 m -72.94 139.8 47.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -83.81 -46.42 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -52.23 -29.43 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.51 ' HG ' ' N ' ' A' ' 50' ' ' GLY . 54.3 tp -165.16 171.07 14.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.949 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.51 ' N ' ' HG ' ' A' ' 49' ' ' LEU . . . -72.48 47.04 1.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.481 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 m -98.72 -177.1 3.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.948 0.404 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.611 ' HB3' HD12 ' A' ' 73' ' ' ILE . 98.1 m-85 -134.03 156.99 47.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.901 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.512 HG23 ' HA ' ' A' ' 72' ' ' GLN . 28.2 m -151.74 134.96 15.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.541 HD11 HD11 ' A' ' 96' ' ' ILE . 24.2 mt -97.25 138.56 21.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.526 ' HB3' HD11 ' A' ' 32' ' ' LEU . 27.3 m -121.3 101.64 7.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.798 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.475 HG11 ' CG2' ' A' ' 108' ' ' THR . 29.8 t -101.33 150.6 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.526 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 65.8 t80 -97.09 108.86 21.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.436 ' CE ' ' HB2' ' A' ' 107' ' ' MET . 6.1 mmt -78.03 -68.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.752 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . 117.23 123.94 3.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.07 175.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.737 0.303 . . . . 0.0 111.164 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 62' ' ' ARG . 22.2 mmt180 -76.73 81.19 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 61' ' ' ARG . 7.6 tpp180 35.85 49.66 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.1 p -133.26 -177.97 4.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.426 HG22 ' O ' ' A' ' 64' ' ' THR . 6.8 m -79.82 42.15 0.53 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.112 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -134.66 178.76 6.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . -136.8 152.8 50.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.752 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -130.9 129.74 42.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.5 mt -131.13 133.12 63.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.412 ' HD3' ' CG ' ' A' ' 58' ' ' MET . 12.4 mptt -101.93 158.12 16.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -130.74 104.77 7.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.495 ' CE2' HD22 ' A' ' 106' ' ' LEU . 8.2 m-85 -100.21 98.15 8.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.512 ' HA ' HG23 ' A' ' 53' ' ' THR . 17.6 tt0 -71.78 112.35 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' A' ' 52' ' ' TYR . 21.9 mt -70.29 110.73 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -101.73 172.53 6.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.584 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 24.8 ttmt -126.31 138.12 53.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.858 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.474 ' OD1' ' N ' ' A' ' 79' ' ' GLY . 47.3 p30 -79.7 -177.7 6.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.53 -33.28 75.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 m -71.23 -17.82 62.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . 93.56 30.82 8.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.474 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 38.8 mt-30 -106.12 142.59 35.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.584 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 71.1 m95 -79.88 133.77 36.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.543 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 3.9 p90 -151.93 158.67 43.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.668 HG23 HD11 ' A' ' 95' ' ' LEU . 62.3 t -121.43 -49.57 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.228 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -81.82 6.36 15.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.543 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 18.4 tt0 54.06 25.21 5.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -131.9 -32.5 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -117.93 105.42 11.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.474 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -96.26 146.29 24.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.578 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 91.7 m-85 -118.72 -175.44 2.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -106.76 -24.69 12.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.43 ' HB2' ' CD ' ' A' ' 94' ' ' GLU . 1.9 m -139.46 152.79 47.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.694 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 5.3 mm -60.33 -49.01 92.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.579 0.704 . . . . 0.0 111.158 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.694 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 52.8 Cg_endo -69.76 -4.79 14.74 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.729 2.286 . . . . 0.0 112.298 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.43 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.1 OUTLIER -94.91 -34.74 12.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.837 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.668 HD11 HG23 ' A' ' 83' ' ' VAL . 1.3 tt -60.94 -35.93 78.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.541 HD11 HD11 ' A' ' 54' ' ' ILE . 11.6 mm -86.72 -13.04 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.148 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.414 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.4 t-105 -61.29 -36.91 81.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.597 ' CD2' ' OD1' ' A' ' 102' ' ' ASN . 1.5 t80 -92.05 -47.28 7.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.854 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -41.02 -34.87 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -53.22 -56.97 12.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -70.52 -55.06 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.597 ' OD1' ' CD2' ' A' ' 98' ' ' TYR . 1.1 p30 -124.68 121.74 35.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -79.57 74.61 6.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.8 79.94 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 132.3 -53.78 0.79 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.488 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.495 HD22 ' CE2' ' A' ' 71' ' ' TYR . 14.9 mt -59.88 -173.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.436 ' HB2' ' CE ' ' A' ' 58' ' ' MET . 19.6 mtm -106.1 -41.6 5.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.475 ' CG2' HG11 ' A' ' 56' ' ' VAL . 6.3 t -116.07 162.41 17.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -96.84 130.1 44.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.3 mt -57.06 117.73 4.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.409 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 46.0 mtp180 -114.45 -55.96 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 113' ' ' PRO . 68.4 m-85 -103.92 93.92 5.88 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.661 0.744 . . . . 0.0 110.902 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 114' ' ' VAL . 53.4 Cg_endo -69.82 79.74 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.291 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.474 HG12 ' NE2' ' A' ' 20' ' ' HIS . 97.6 t -33.33 110.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.19 158.17 50.93 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.549 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.401 HD21 ' O ' ' A' ' 19' ' ' TYR . 12.0 mt -51.41 -62.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 11.4 mtm -55.89 89.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -121.19 -56.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.4 m -109.14 176.17 5.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.2 m -166.34 175.13 8.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.81 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -96.82 116.37 5.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -47.32 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.696 2.264 . . . . 0.0 112.325 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.1 t -147.95 176.35 10.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -152.2 150.95 30.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 m -122.24 42.46 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.789 0.328 . . . . 0.0 110.804 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.8 m -128.3 143.11 50.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.51 -40.88 0.96 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.502 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -79.29 116.91 19.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.818 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -166.51 138.29 3.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.01 -146.64 4.39 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -95.27 113.31 24.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.892 0.377 . . . . 0.0 110.955 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 10' ' ' ILE . 5.2 mtpm? -109.1 114.22 27.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.93 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.783 ' H ' HD12 ' A' ' 10' ' ' ILE . 5.3 mp -33.84 150.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.6 m -143.68 105.94 4.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.642 HD22 HG23 ' A' ' 15' ' ' ILE . 7.7 t30 -111.47 136.52 50.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.654 HD21 ' HD3' ' A' ' 93' ' ' PRO . 22.2 mt -120.52 -20.02 7.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -50.27 -44.63 53.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.642 HG23 HD22 ' A' ' 12' ' ' ASN . 17.4 pt -46.49 -36.74 2.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.07 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -74.05 -175.01 2.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -120.08 -36.19 3.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 10.6 p-90 -66.93 -3.7 7.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.583 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 20.6 t80 -94.84 77.11 3.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.48 ' HB3' HD13 ' A' ' 23' ' ' ILE . 15.3 m-70 -75.11 93.15 2.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -96.9 167.15 11.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.9 t30 65.26 37.59 6.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.604 HD11 HH11 ' A' ' 44' ' ' ARG . 8.7 pt -131.2 175.22 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.208 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.9 p -117.34 176.18 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tpp85 -58.82 -31.47 68.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -75.38 -40.91 57.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -57.46 -52.49 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.06 -61.84 1.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.11 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -53.2 -59.63 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -38.41 -52.72 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 82.1 mt -52.97 -52.66 57.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.497 HD21 HG12 ' A' ' 42' ' ' ILE . 26.2 mt -57.19 -46.17 83.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -46.87 -50.0 19.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -48.64 -41.85 32.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.36 -64.64 0.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 5.8 m 69.85 44.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.595 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 12.0 ptpt -151.83 126.16 9.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.505 ' CD ' HG23 ' A' ' 108' ' ' THR . 0.2 OUTLIER -44.88 138.2 3.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.479 ' N ' ' OE1' ' A' ' 38' ' ' GLU . . . 113.87 -46.08 1.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.436 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -38.34 120.19 0.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 111.077 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.738 ' CG ' HD22 ' A' ' 110' ' ' LEU . 9.1 p90 -141.01 169.01 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.682 HD12 HH12 ' A' ' 44' ' ' ARG . 1.0 OUTLIER -164.81 167.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.12 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.576 HG22 HG12 ' A' ' 54' ' ' ILE . 57.4 t -134.77 138.0 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.682 HH12 HD12 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -134.01 174.56 10.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.06 132.86 42.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' HIS . 6.7 m -92.19 72.9 5.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 46' ' ' SER . 14.1 ttt180 -37.55 -27.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.505 ' N ' ' O ' ' A' ' 46' ' ' SER . 0.6 OUTLIER -56.73 -61.13 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.473 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 0.4 OUTLIER -132.81 45.74 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.959 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 49' ' ' LEU . . . 37.75 31.46 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.514 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' LEU . 20.6 m -92.29 -177.43 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.866 -179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.613 ' HB2' HD12 ' A' ' 73' ' ' ILE . 71.7 m-85 -130.94 131.78 44.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.016 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 97.5 m -118.49 140.69 49.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.576 HG12 HG22 ' A' ' 43' ' ' VAL . 68.9 mt -116.92 120.1 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.459 ' CB ' ' NH2' ' A' ' 44' ' ' ARG . 73.8 m -104.13 105.26 15.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.812 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.9 t -98.65 147.42 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 56.6 t80 -92.68 111.91 23.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.2 mmt -83.37 -49.46 9.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.572 ' N ' ' HB3' ' A' ' 67' ' ' ALA . . . 89.92 124.22 2.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.437 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.62 173.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -54.9 -44.53 74.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -122.26 177.54 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.5 m -81.96 41.95 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 81.3 p -116.17 -20.09 9.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -140.45 172.88 12.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.05 154.91 35.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.572 ' HB3' ' N ' ' A' ' 59' ' ' GLY . . . -139.26 124.08 18.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.2 mt -133.34 127.77 54.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.457 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 13.1 mptt -103.33 157.34 17.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -122.7 112.31 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.457 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 7.3 m-85 -107.93 108.04 19.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -79.31 130.96 35.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.613 HD12 ' HB2' ' A' ' 52' ' ' TYR . 85.1 mt -85.44 111.93 21.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -102.05 175.94 5.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.835 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.511 ' HE3' ' CH2' ' A' ' 81' ' ' TRP . 24.3 ttmt -127.39 140.98 51.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.476 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -95.34 -179.99 4.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -52.98 -31.62 41.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.417 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 1.9 m -81.33 17.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 47.8 37.75 15.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.522 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 72.1 mt-30 -110.2 143.45 40.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.724 0.297 . . . . 0.0 110.883 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.511 ' CH2' ' HE3' ' A' ' 75' ' ' LYS . 74.8 m95 -80.03 144.68 33.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.525 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 5.3 p90 -158.79 143.4 15.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.537 HG23 HD11 ' A' ' 95' ' ' LEU . 66.2 t -107.62 -45.61 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.162 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.54 7.75 21.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.525 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 16.7 tt0 51.94 26.0 3.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -132.37 -32.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -120.09 110.17 16.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.522 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -99.92 145.1 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 35.6 m-85 -119.58 -176.0 3.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -104.09 -21.78 13.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 m -139.23 150.3 45.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.691 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.0 mm -57.85 -49.38 94.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.69 0.757 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.691 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.8 Cg_endo -69.77 -6.44 18.62 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.268 . . . . 0.0 112.335 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -90.91 -34.22 15.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.625 HD23 HD13 ' A' ' 96' ' ' ILE . 1.2 tt -62.79 -39.29 93.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.625 HD13 HD23 ' A' ' 95' ' ' LEU . 4.7 mm -84.8 -15.45 10.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.101 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.4 t-105 -55.98 -38.29 70.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.418 ' O ' ' C ' ' A' ' 99' ' ' HIS . 50.6 t80 -92.4 -52.3 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.418 ' C ' ' O ' ' A' ' 98' ' ' TYR . 18.9 m-70 -36.5 -44.41 0.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -50.69 -49.4 57.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -72.62 -47.98 43.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.802 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -143.83 128.33 18.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.18 97.88 0.56 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.25 83.75 7.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.061 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 117.27 -52.18 0.7 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.7 mp -73.24 145.96 45.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 18.2 mtm -70.43 -40.72 73.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.505 HG23 ' CD ' ' A' ' 38' ' ' GLU . 83.2 m -94.48 144.52 25.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.21 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.5 ttt-85 -109.69 146.93 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.738 HD22 ' CG ' ' A' ' 41' ' ' PHE . 39.4 mt -67.69 117.22 9.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 65.9 mtp85 -108.68 -53.54 2.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.595 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 41.5 m-85 -106.88 91.83 6.77 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.702 0.763 . . . . 0.0 110.951 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 79.93 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.39 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.41 117.47 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -103.45 171.11 20.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 115' ' ' GLY . 10.7 mp -34.55 -60.82 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 110.893 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 26.7 mmt -63.26 89.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -170.22 49.37 0.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.459 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 51.5 p -117.31 164.23 15.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.887 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.7 m -72.4 157.1 38.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.785 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 147.91 142.84 3.72 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -15.33 37.07 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.36 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 61.9 p -120.31 -24.16 6.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 45.4 t -121.67 101.98 7.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -87.43 159.98 18.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.361 . . . . 0.0 110.86 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m 60.45 49.2 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.87 139.65 2.78 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.555 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -129.18 87.24 2.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.908 0.385 . . . . 0.0 110.907 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 m -135.92 133.68 37.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.836 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.37 -155.52 52.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -78.08 130.37 36.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 10' ' ' ILE . 58.6 mmtt -133.93 145.64 49.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' LYS . 35.1 mm -37.64 150.39 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.95 0.405 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 m -117.49 99.01 6.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -91.17 112.57 24.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.831 HD21 ' HD3' ' A' ' 93' ' ' PRO . 95.9 mt -111.42 -38.21 5.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -45.37 -39.9 7.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.604 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 44.0 pt -45.33 -37.95 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.604 ' CZ ' HD11 ' A' ' 15' ' ' ILE . 28.1 m-85 -81.55 169.9 16.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -103.02 -41.48 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.498 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 19.4 p-90 -57.03 -12.76 2.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.498 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 9.0 t80 -90.03 84.09 6.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.612 ' CE1' HD13 ' A' ' 31' ' ' LEU . 13.3 m-70 -82.67 106.81 14.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.797 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HD2' ' CE2' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -109.84 150.11 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.8 t30 72.16 42.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.464 HD13 ' HB3' ' A' ' 20' ' ' HIS . 13.2 pt -129.57 -176.74 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.3 t -137.02 157.12 47.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 24' ' ' THR . 24.9 ttp180 -34.22 -47.04 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -56.54 -51.2 69.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 24' ' ' THR . 27.7 mm100 -59.05 -50.23 74.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.15 -58.68 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.57 -56.08 26.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -48.42 -52.2 23.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.612 HD13 ' CE1' ' A' ' 20' ' ' HIS . 19.3 mt -48.87 -56.33 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.549 HD11 ' O ' ' A' ' 55' ' ' SER . 39.5 mt -51.71 -46.19 63.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -54.13 -23.4 13.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.441 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 16.1 mm-40 -63.77 -36.74 84.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.464 ' N ' ' CD ' ' A' ' 35' ' ' GLU . 15.1 mp0 -84.19 -31.7 24.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.5 p 41.76 54.63 3.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.835 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.578 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 7.2 ptpt -155.95 144.74 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.515 ' HG2' HG23 ' A' ' 108' ' ' THR . 14.4 tt0 -64.07 118.84 9.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.467 ' HA3' ' CG ' ' A' ' 111' ' ' ARG . . . 134.24 -29.16 3.08 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.427 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.539 ' HB1' HD23 ' A' ' 32' ' ' LEU . . . -57.02 122.97 13.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 111.12 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.715 ' CB ' HD22 ' A' ' 110' ' ' LEU . 8.8 p90 -137.64 160.49 39.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 41' ' ' PHE . 10.2 pt -156.97 156.92 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.3 t -124.94 121.43 61.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.8 ptt85 -113.44 160.05 18.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -92.94 142.35 27.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.7 m -83.75 138.25 33.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -81.05 -45.32 16.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.593 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.2 p80 -51.88 -36.73 49.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.593 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.6 tp -157.8 178.05 10.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.7 46.39 1.7 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.538 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 m -98.87 -177.53 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.738 ' HB2' HD12 ' A' ' 73' ' ' ILE . 65.9 m-85 -143.11 149.12 37.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.1 m -130.47 130.68 44.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.131 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 8.6 mt -94.72 140.13 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.122 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.549 ' O ' HD11 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -127.08 105.76 8.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 57' ' ' PHE . 25.1 t -103.88 154.04 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.095 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.613 ' CE2' ' HB1' ' A' ' 66' ' ' ALA . 52.0 t80 -100.75 108.88 20.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mmt -80.61 -52.11 7.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.527 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . 89.51 121.48 2.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.485 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.529 ' HB2' ' CG ' ' A' ' 65' ' ' GLU . . . -50.83 178.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 111.132 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.484 ' HD3' ' N ' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -124.62 -54.48 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 62' ' ' ARG . 1.2 tpm_? -82.9 -66.71 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.2 t -76.34 142.03 41.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.7 m -52.47 -15.72 0.72 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.529 ' CG ' ' HB2' ' A' ' 60' ' ' ALA . 4.0 pt-20 -47.13 174.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.613 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -117.12 -179.87 3.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.527 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -146.37 131.68 18.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.7 mt -135.44 130.64 50.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.98 169.7 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -142.26 107.56 5.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.481 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 10.8 m-85 -100.42 120.8 40.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -83.52 139.45 32.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.738 HD12 ' HB2' ' A' ' 52' ' ' TYR . 83.3 mt -104.3 100.35 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.416 ' NZ ' ' OE2' ' A' ' 85' ' ' GLU . 32.1 mtmt -98.12 171.13 8.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.886 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.459 ' HE2' ' CZ2' ' A' ' 81' ' ' TRP . 14.7 ttmt -123.57 137.8 54.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.469 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -91.8 -177.69 4.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.92 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -55.66 -31.94 62.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.402 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 1.9 m -80.48 15.81 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 49.31 40.65 30.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.579 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 79.2 mt-30 -113.44 142.38 45.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.459 ' CZ2' ' HE2' ' A' ' 75' ' ' LYS . 69.1 m95 -80.81 138.74 36.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.513 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 17.9 p90 -152.72 150.06 29.03 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.613 HG23 HD11 ' A' ' 95' ' ' LEU . 71.9 t -116.69 -51.26 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.13 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -76.7 -3.24 37.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.068 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.5 mt-10 65.18 25.09 12.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -133.23 -32.7 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -117.4 117.26 29.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -108.11 137.37 46.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.404 ' CZ ' ' CD1' ' A' ' 98' ' ' TYR . 42.9 m-85 -112.65 -175.34 2.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.8 -16.7 13.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -139.04 145.97 40.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.716 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 18.5 mm -59.83 -47.04 98.27 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.676 0.75 . . . . 0.0 111.182 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.831 ' HD3' HD21 ' A' ' 13' ' ' LEU . 54.1 Cg_endo -69.82 -0.89 7.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.612 2.208 . . . . 0.0 112.375 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 0.1 OUTLIER -96.4 -47.61 5.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.613 HD11 HG23 ' A' ' 83' ' ' VAL . 2.5 tt -52.56 -33.06 44.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.653 HG23 ' CD1' ' A' ' 110' ' ' LEU . 19.9 mm -90.75 -21.04 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.408 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.4 t-105 -53.05 -48.79 67.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.511 ' CG ' ' N ' ' A' ' 99' ' ' HIS . 1.9 p90 -76.85 -45.13 29.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.511 ' N ' ' CG ' ' A' ' 98' ' ' TYR . 4.5 t-80 -41.64 -53.42 3.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -45.8 -36.15 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -79.71 -50.13 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -126.87 134.41 50.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.828 ' HB2' ' HB3' ' A' ' 109' ' ' ARG . . . -89.02 83.55 6.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.32 -44.78 62.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -53.51 -83.62 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.54 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 12.5 mt -119.94 177.1 5.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 12.2 mtp -48.1 -64.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.515 HG23 ' HG2' ' A' ' 38' ' ' GLU . 85.4 m -51.77 137.85 24.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.147 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.828 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 15.0 ptt180 -121.06 148.26 44.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.715 HD22 ' CB ' ' A' ' 41' ' ' PHE . 13.5 mt -62.41 104.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 111' ' ' ARG . 3.5 ptm85 -124.08 -28.67 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.578 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 10.4 m-85 -112.11 90.64 14.09 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.7 0.762 . . . . 0.0 110.884 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.87 79.77 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.641 2.228 . . . . 0.0 112.36 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.9 t -37.95 126.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.24 142.67 37.91 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.45 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.431 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.4 mt -42.87 -62.49 1.0 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.815 0.341 . . . . 0.0 110.942 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 118' ' ' GLY . 33.5 mmt -94.18 39.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.95 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 117' ' ' MET . . . 34.24 -119.05 0.27 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.7 t -133.7 41.26 3.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.7 t -73.78 -54.06 8.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -68.6 121.26 12.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.69 1.51 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.725 2.283 . . . . 0.0 112.333 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 29.0 t -100.75 81.58 2.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.8 m -57.28 111.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -174.94 168.95 3.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -158.86 142.08 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.06 120.45 3.46 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.4 p -158.61 176.61 12.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.898 0.38 . . . . 0.0 110.789 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 t -157.73 126.46 5.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.54 159.57 9.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -81.42 155.88 25.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -134.17 137.17 44.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.8 mt -41.47 145.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.111 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.2 m -109.62 51.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -65.78 108.62 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 13.2 mt -107.66 -38.72 5.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -45.86 -36.45 5.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.478 HG13 ' N ' ' A' ' 16' ' ' TYR . 37.3 pt -53.95 -35.64 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.176 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.541 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 47.3 m-85 -78.26 -177.79 5.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -116.66 -31.26 5.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 11.3 p-90 -70.39 -1.36 10.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 12.8 t80 -101.59 88.39 3.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.567 ' HB3' HD13 ' A' ' 23' ' ' ILE . 17.5 m-70 -85.48 91.08 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.829 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 0.0 OUTLIER -87.57 -35.66 17.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.469 ' N ' ' HG2' ' A' ' 21' ' ' ARG . 47.6 t-20 -89.37 60.85 5.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.567 HD13 ' HB3' ' A' ' 20' ' ' HIS . 9.3 pt -148.34 175.3 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.478 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.5 t -131.6 156.52 45.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' C ' ' O ' ' A' ' 24' ' ' THR . 2.4 tpp85 -32.17 -50.6 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -55.48 -48.63 74.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' THR . 12.6 mm100 -56.91 -56.95 15.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -38.62 -46.87 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.068 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -74.68 -50.63 16.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' LEU . 75.2 t60 -53.31 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 30' ' ' HIS . 26.6 mt -35.37 -48.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.98 -46.49 74.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -44.62 -42.43 7.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -59.07 -38.48 79.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 2.3 mm-40 -69.84 -50.87 38.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 32.7 m 50.4 54.48 11.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.581 ' HE3' ' CD2' ' A' ' 112' ' ' TYR . 0.0 OUTLIER -160.86 112.46 1.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 37' ' ' LYS . 0.4 OUTLIER -33.74 136.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.483 ' HA3' ' CG ' ' A' ' 111' ' ' ARG . . . 119.09 -46.43 1.13 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.93 119.31 1.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.789 ' CG ' HD22 ' A' ' 110' ' ' LEU . 9.6 p90 -138.92 165.13 27.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.7 HG23 ' O ' ' A' ' 41' ' ' PHE . 12.8 pt -164.0 167.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.0 t -126.52 105.2 13.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.498 ' HB3' HD11 ' A' ' 23' ' ' ILE . 37.0 ptt180 -96.95 159.35 14.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -94.08 121.88 36.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.4 m -71.71 74.2 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 46' ' ' SER . 11.0 tpp180 -34.65 -36.72 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -48.79 -55.34 11.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.574 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.5 tp -133.37 173.98 10.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.58 45.97 1.62 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.551 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 68.6 m -123.77 -177.14 3.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.398 . . . . 0.0 110.778 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.48 ' HB2' HD12 ' A' ' 73' ' ' ILE . 36.1 m-85 -131.56 163.58 27.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.933 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 61.1 m -144.27 135.92 25.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.214 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.3 mt -97.99 139.57 19.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.1 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.5 m -124.39 102.25 7.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.599 HG22 ' CB ' ' A' ' 41' ' ' PHE . 17.8 t -102.17 154.2 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.574 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 48.7 t80 -102.31 114.38 28.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.455 ' CE ' ' HB3' ' A' ' 107' ' ' MET . 4.0 mmt -78.28 -40.28 37.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.574 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . 77.89 124.79 0.31 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.55 162.43 15.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 111.077 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -91.61 -39.98 11.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -40.16 156.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.4 m -42.03 -71.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.5 p -116.22 91.25 3.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -149.94 176.79 10.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -159.05 165.91 32.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -152.04 132.41 13.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.5 mt -138.19 130.39 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -101.83 169.21 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.468 ' ND1' ' NH2' ' A' ' 44' ' ' ARG . 94.8 m-70 -139.61 107.96 5.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.789 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.481 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 7.9 m-85 -103.85 114.8 29.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -82.92 128.11 34.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.48 HD12 ' HB2' ' A' ' 52' ' ' TYR . 59.7 mt -88.74 103.96 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.6 mtmt -98.17 176.51 5.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.583 ' CE ' ' CH2' ' A' ' 81' ' ' TRP . 23.9 ttmt -124.9 139.4 53.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.5 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -93.11 -176.76 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -32.3 65.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.51 13.66 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.832 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 51.91 40.37 49.94 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.5 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 87.5 mt-30 -113.19 142.48 45.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.583 ' CH2' ' CE ' ' A' ' 75' ' ' LYS . 45.6 m95 -80.43 124.36 28.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.543 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 1.8 p90 -143.73 154.36 43.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.98 0.419 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 71' ' ' TYR . 99.0 t -123.3 -46.79 2.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.156 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 86' ' ' ARG . . . -87.08 20.0 2.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 84' ' ' ALA . 3.1 pt-20 34.29 31.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 84' ' ' ALA . 22.3 mmt85 -132.62 -24.97 1.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -136.85 112.22 9.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -104.14 149.61 25.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.122 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 23.1 m-85 -125.12 -176.18 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -105.85 -24.04 12.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.947 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.2 m -134.2 147.16 50.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.825 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.717 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.7 mm -58.12 -47.64 98.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.601 0.715 . . . . 0.0 111.188 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.717 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.3 Cg_endo -69.77 -0.63 7.2 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.621 2.214 . . . . 0.0 112.358 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -98.19 -41.21 8.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.1 tt -56.38 -34.63 66.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.568 HG23 ' CD1' ' A' ' 110' ' ' LEU . 9.4 mm -90.24 -15.95 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -58.16 -44.44 87.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.401 ' O ' ' C ' ' A' ' 99' ' ' HIS . 6.5 m-85 -89.13 -50.35 6.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.903 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 95' ' ' LEU . 6.6 m-70 -38.27 -38.32 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.479 ' O ' ' NE ' ' A' ' 109' ' ' ARG . 27.4 mt-30 -57.9 -51.96 67.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -66.77 -46.27 75.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -134.95 128.06 31.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -76.95 101.98 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -103.74 81.44 1.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 107.02 -43.4 1.69 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.9 mp -56.24 139.53 47.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.455 ' HB3' ' CE ' ' A' ' 58' ' ' MET . 13.8 mtp -48.58 -49.65 35.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 6.5 t -135.56 148.11 48.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.106 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.479 ' NE ' ' O ' ' A' ' 100' ' ' GLN . 14.2 ttp180 -74.06 141.83 45.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.789 HD22 ' CG ' ' A' ' 41' ' ' PHE . 24.1 mt -72.58 118.46 15.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.483 ' CG ' ' HA3' ' A' ' 39' ' ' GLY . 3.4 ptp180 -119.31 -40.04 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.581 ' CD2' ' HE3' ' A' ' 37' ' ' LYS . 14.6 m-85 -108.94 88.32 5.41 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.696 0.76 . . . . 0.0 110.924 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.499 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.74 79.29 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.676 2.251 . . . . 0.0 112.36 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.46 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 85.3 t -37.96 129.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.58 157.81 40.55 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.443 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.416 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.5 mt -52.51 -63.27 1.2 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 110.957 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 118' ' ' GLY . 32.1 mtm -38.98 -67.94 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 117' ' ' MET . . . 36.46 38.72 0.29 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.5 t -140.76 144.12 35.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.918 0.39 . . . . 0.0 110.805 -179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.8 t -157.18 136.67 12.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 168.42 102.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -5.87 17.23 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.726 2.284 . . . . 0.0 112.345 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.2 t -48.07 153.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 125' ' ' GLY . 52.9 p -153.75 127.11 8.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 124' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.441 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.0 p 44.71 42.2 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.817 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m 55.76 42.07 29.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.819 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.48 109.52 0.38 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.496 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -77.03 83.13 3.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m -85.86 143.36 28.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.41 -102.65 1.11 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 68.57 41.59 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.895 0.379 . . . . 0.0 110.913 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -95.93 98.41 10.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.5 mt -47.96 -39.95 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.0 m -80.16 131.15 35.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -124.35 113.65 18.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 25.9 mt -108.89 -28.47 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -47.96 -38.28 16.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 16' ' ' TYR . 18.8 pt -49.35 -31.16 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.169 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.477 ' N ' HG13 ' A' ' 15' ' ' ILE . 58.0 m-85 -84.76 -178.5 6.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -115.62 -32.82 5.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.425 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 11.7 p-90 -71.15 0.73 7.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 11.0 t80 -102.05 81.98 2.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.597 ' HB3' HD13 ' A' ' 23' ' ' ILE . 38.0 m-70 -76.51 94.84 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.827 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.66 HH21 HD22 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -93.28 164.33 13.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.3 t30 62.3 39.81 12.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.597 HD13 ' HB3' ' A' ' 20' ' ' HIS . 15.5 pt -131.15 176.21 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.424 HG22 ' HG2' ' A' ' 27' ' ' GLN . 13.5 t -132.92 167.59 19.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -39.48 -51.66 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -53.39 -52.55 58.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.424 ' HG2' HG22 ' A' ' 24' ' ' THR . 14.7 mm100 -53.77 -59.68 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.426 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -45.2 -63.65 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -53.56 -58.13 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.46 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 2.5 t-160 -41.42 -60.27 1.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.0 mt -41.71 -43.24 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.481 HD11 ' O ' ' A' ' 55' ' ' SER . 59.5 mt -67.21 -51.97 46.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -41.37 -46.43 3.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -57.93 -43.98 86.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -62.23 -39.53 93.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.427 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 68.2 p 43.71 45.98 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.576 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 8.2 ptpt -152.19 139.17 19.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -61.74 130.98 48.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 123.04 -41.47 1.78 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -48.33 106.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 111.06 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.917 ' CG ' HD22 ' A' ' 110' ' ' LEU . 2.4 p90 -127.56 165.24 20.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.79 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.59 HG23 ' O ' ' A' ' 41' ' ' PHE . 14.0 pt -160.3 162.71 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.1 t -124.25 104.04 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.074 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.588 ' HB3' HD11 ' A' ' 23' ' ' ILE . 19.1 ptt85 -94.62 169.62 10.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.49 107.89 19.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.403 ' OG ' ' C ' ' A' ' 51' ' ' SER . 15.2 m -39.74 139.65 0.6 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -89.39 -41.18 12.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.6 p80 -57.31 -35.3 69.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.868 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.579 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 11.3 mt -157.12 -175.69 5.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.18 42.65 2.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.524 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.403 ' C ' ' OG ' ' A' ' 46' ' ' SER . 3.3 m -99.0 175.63 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 110.887 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.438 ' HB2' HD12 ' A' ' 73' ' ' ILE . 89.0 m-85 -132.62 140.89 48.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.4 m -128.51 140.78 51.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.175 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.1 mt -105.33 125.77 60.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.481 ' O ' HD11 ' A' ' 32' ' ' LEU . 49.3 m -109.98 98.27 7.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.484 HG22 ' CB ' ' A' ' 41' ' ' PHE . 22.2 t -98.6 149.88 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.674 ' HE1' ' HB1' ' A' ' 66' ' ' ALA . 40.9 t80 -98.63 143.53 28.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.751 ' HB2' ' HB3' ' A' ' 67' ' ' ALA . 5.3 mmt -103.42 -60.02 1.63 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.415 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . 129.53 20.0 1.44 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.53 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 54.29 32.71 16.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.774 0.321 . . . . 0.0 111.17 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -59.95 -49.81 76.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 62' ' ' ARG . 0.5 OUTLIER -100.58 -61.74 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.4 m -46.55 167.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.2 t -74.88 -21.78 59.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 66' ' ' ALA . 5.4 mm-40 -144.25 -178.32 5.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.674 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . -33.05 121.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.751 ' HB3' ' HB2' ' A' ' 58' ' ' MET . . . -98.81 113.42 25.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.076 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.8 mt -117.85 133.16 65.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -101.47 161.1 13.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -136.2 105.21 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.448 ' HB3' ' CG1' ' A' ' 83' ' ' VAL . 14.3 m-85 -100.65 112.32 24.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -85.69 126.82 34.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.438 HD12 ' HB2' ' A' ' 52' ' ' TYR . 46.4 mt -86.32 103.6 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 1.1 mppt? -96.9 169.8 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.904 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.4 ' CE ' ' CZ2' ' A' ' 81' ' ' TRP . 7.7 ttmm -118.59 136.08 54.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.434 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -90.56 -175.75 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -59.8 -30.88 69.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.433 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 3.2 m -80.26 19.89 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 46.11 44.71 14.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.434 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 59.1 mt-30 -120.07 142.48 48.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.756 0.313 . . . . 0.0 110.983 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.4 ' CZ2' ' CE ' ' A' ' 75' ' ' LYS . 70.2 m95 -79.98 132.54 36.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 2.9 p90 -148.09 158.45 44.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.003 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.684 HG23 HD11 ' A' ' 95' ' ' LEU . 77.4 t -119.55 -45.53 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' ARG . . . -95.33 22.1 7.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 84' ' ' ALA . 3.9 pt-20 36.58 28.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 84' ' ' ALA . 15.3 mmt180 -129.86 -24.91 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 31.7 m-70 -133.26 99.87 4.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -91.6 150.53 21.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 39.0 m-85 -123.58 -174.7 3.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -104.54 -25.85 12.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.439 ' HB2' ' CD ' ' A' ' 94' ' ' GLU . 2.3 m -139.22 154.83 48.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.728 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 20.1 mm -59.51 -46.74 98.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.658 0.742 . . . . 0.0 111.174 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.728 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.79 -4.12 13.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.621 2.214 . . . . 0.0 112.383 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.439 ' CD ' ' HB2' ' A' ' 91' ' ' SER . 0.2 OUTLIER -94.83 -37.91 11.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.684 HD11 HG23 ' A' ' 83' ' ' VAL . 1.4 tt -59.81 -36.14 76.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.575 HG22 ' HG3' ' A' ' 100' ' ' GLN . 19.3 mm -87.93 -15.94 9.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.117 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 20.0 t-105 -56.63 -41.85 77.83 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -94.44 -49.79 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.605 ' CE1' ' HB3' ' A' ' 104' ' ' ALA . 0.7 OUTLIER -41.81 -36.83 1.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.575 ' HG3' HG22 ' A' ' 96' ' ' ILE . 10.5 mt-30 -52.73 -57.0 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -74.39 -48.92 24.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -117.71 102.79 9.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.91 96.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.605 ' HB3' ' CE1' ' A' ' 99' ' ' HIS . . . -86.72 94.74 9.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 80.08 34.32 30.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 5.3 mp -136.31 133.94 37.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.862 0.363 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 58.2 mtt -46.76 -52.46 14.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.8 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.2 t -120.57 164.31 16.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.16 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 54.7 ptt85 -103.8 131.97 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.917 HD22 ' CG ' ' A' ' 41' ' ' PHE . 26.7 mt -52.05 108.1 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 112' ' ' TYR . 14.0 ptm180 -111.44 -46.3 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.576 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 14.1 m-85 -107.82 87.05 3.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.646 0.736 . . . . 0.0 110.851 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.77 84.62 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.64 2.227 . . . . 0.0 112.422 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 113' ' ' PRO . 95.3 t -34.06 128.72 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -78.21 161.58 48.99 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.66 HD22 HH21 ' A' ' 21' ' ' ARG . 14.6 mt -61.11 -61.93 2.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' LEU . 14.7 mmt -34.35 -63.69 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 47.92 41.49 21.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.2 t -112.95 100.5 8.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 0.0 110.891 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 36.5 m -84.81 134.97 34.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -152.44 175.06 31.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.444 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -18.29 36.91 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.634 2.223 . . . . 0.0 112.339 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.0 m -129.31 42.29 3.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 2.9 t -113.43 142.54 45.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.51 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -47.58 168.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.836 0.351 . . . . 0.0 110.879 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -84.11 163.48 19.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.93 -122.22 0.64 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.431 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.8 p -161.14 177.67 10.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.4 p -79.35 -57.76 3.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.09 62.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.542 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -108.09 103.93 13.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.924 0.392 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -79.94 83.8 5.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.5 mt -83.14 141.62 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 m -143.27 118.26 10.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -124.7 108.7 12.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 49.6 mt -106.91 -33.28 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -46.96 -39.38 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.489 HG13 ' N ' ' A' ' 16' ' ' TYR . 23.4 pt -48.49 -32.83 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.543 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 62.9 m-85 -76.34 178.63 6.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -113.95 -33.41 5.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 8.2 p-90 -73.69 3.32 6.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 14.0 t80 -105.26 81.9 1.77 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.584 ' HB3' HG21 ' A' ' 23' ' ' ILE . 49.1 m-70 -78.23 88.54 4.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 10.2 ptm180 -85.1 -40.85 16.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.818 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -83.51 58.94 4.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.584 HG21 ' HB3' ' A' ' 20' ' ' HIS . 8.9 pt -146.26 174.43 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.9 t -131.42 164.81 24.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' THR . 6.6 tpp180 -36.74 -50.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.75 -57.37 12.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -48.44 -57.38 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -38.73 -51.1 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HA ' HD13 ' A' ' 68' ' ' ILE . 15.7 mt-10 -69.89 -55.68 9.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' LEU . 18.6 t60 -48.9 -63.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.83 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' HIS . 53.8 mt -34.6 -52.56 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.533 HD21 HG12 ' A' ' 42' ' ' ILE . 39.8 mt -65.12 -51.69 59.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -44.34 -51.98 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -45.97 -47.58 16.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.42 -42.41 92.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p 47.63 52.52 12.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.494 ' HD2' ' CD1' ' A' ' 112' ' ' TYR . 0.8 OUTLIER -148.75 122.29 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.912 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -45.93 124.24 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 125.85 -39.33 2.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.589 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.45 ' N ' ' HB2' ' A' ' 112' ' ' TYR . . . -41.91 108.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.598 ' CG ' HD22 ' A' ' 110' ' ' LEU . 10.9 p90 -126.57 155.84 41.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.533 HG12 HD21 ' A' ' 32' ' ' LEU . 11.1 pt -156.03 157.33 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.15 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.435 HG22 HG12 ' A' ' 54' ' ' ILE . 93.1 t -118.06 103.27 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.546 ' HB3' HD11 ' A' ' 23' ' ' ILE . 8.8 ptm180 -97.8 162.61 13.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.77 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -98.5 134.7 41.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 47' ' ' ARG . 2.2 m -81.97 74.12 8.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 46' ' ' SER . 26.8 ttp180 -35.09 -34.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 0.9 OUTLIER -50.31 -54.35 22.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -134.81 175.68 9.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.05 46.33 1.8 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -120.34 -177.35 3.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.369 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -129.37 167.81 17.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.961 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 48.8 m -148.45 149.98 32.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.435 HG12 HG22 ' A' ' 43' ' ' VAL . 33.1 mt -117.72 138.41 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.44 ' HB3' ' CG1' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -119.38 110.6 17.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 23.0 t -111.88 146.49 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.641 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 45.6 t80 -94.4 103.6 15.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.4 mmt -67.35 -50.52 59.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.499 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . 113.75 138.31 6.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.26 78.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.842 0.353 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLY . 9.0 mmm180 -115.87 -48.38 2.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -94.45 -46.11 7.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.9 m -79.62 172.55 13.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.1 m -72.07 -22.05 61.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 66' ' ' ALA . 1.0 OUTLIER -138.24 -178.21 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.641 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . -39.12 159.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -131.21 130.11 42.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 29' ' ' GLU . 19.9 mt -134.08 128.31 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.173 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -105.42 162.54 13.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.992 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -133.2 105.03 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.559 ' HB3' HG13 ' A' ' 83' ' ' VAL . 11.8 m-85 -97.48 113.75 25.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -77.58 136.04 38.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 74.1 mt -96.78 105.21 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.247 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -100.1 170.69 8.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.44 ' HD2' ' C ' ' A' ' 79' ' ' GLY . 24.1 ttpp -127.71 121.65 30.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -66.01 -173.31 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -78.04 12.71 1.69 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -116.9 17.79 14.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.44 ' C ' ' HD2' ' A' ' 75' ' ' LYS . . . 57.6 32.65 65.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.464 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.424 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 67.9 mt-30 -119.28 134.37 55.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -79.62 150.08 31.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 4.2 p90 -160.45 143.93 13.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.559 HG13 ' HB3' ' A' ' 71' ' ' TYR . 71.3 t -105.25 -54.73 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.8 11.29 3.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.171 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.573 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 17.5 tt0 48.42 26.85 1.23 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 -131.32 -31.99 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -121.38 103.0 8.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -95.28 145.16 25.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 95' ' ' LEU . 65.5 m-85 -119.01 -175.57 2.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -103.12 -21.87 13.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.4 m -143.04 153.39 42.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.714 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 16.9 mm -60.0 -47.99 95.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.714 0.769 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.714 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.0 Cg_endo -69.84 2.96 3.1 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.407 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 3.0 mm-40 -101.55 -43.06 6.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.564 ' HA ' ' CE1' ' A' ' 89' ' ' PHE . 1.8 tt -55.06 -34.89 63.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.779 HG23 ' CD1' ' A' ' 110' ' ' LEU . 24.7 mm -87.75 -21.51 7.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.407 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.5 t-105 -52.35 -46.23 66.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' HIS . 7.9 m-85 -90.8 -53.39 4.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' TYR . 1.1 m80 -36.91 -42.75 0.41 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.433 ' HG3' HG22 ' A' ' 96' ' ' ILE . 24.4 mt-30 -40.26 -52.68 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -88.74 -40.16 13.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 104' ' ' ALA . 0.6 OUTLIER -91.99 97.2 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.772 ' HB2' ' HB3' ' A' ' 109' ' ' ARG . . . -64.42 75.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.092 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 102' ' ' ASN . . . -90.47 118.79 30.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 116.64 -81.26 0.31 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 107' ' ' MET . 4.5 mm? -109.91 138.22 46.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.854 0.359 . . . . 0.0 110.974 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 106' ' ' LEU . 14.6 mtp -34.54 -54.27 0.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 26.4 m -62.3 141.95 58.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.772 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 1.0 OUTLIER -122.16 171.85 8.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.779 ' CD1' HG23 ' A' ' 96' ' ' ILE . 14.5 mt -82.83 103.67 12.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -121.63 -31.5 3.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.494 ' CD1' ' HD2' ' A' ' 37' ' ' LYS . 26.0 m-85 -108.05 82.41 1.49 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.687 0.756 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.502 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 54.7 Cg_endo -69.78 79.96 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.413 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.3 t -47.35 115.56 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 116' ' ' LEU . . . -89.58 152.24 22.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.457 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 10.2 mp -34.45 -62.29 0.35 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.793 0.33 . . . . 0.0 110.886 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 116' ' ' LEU . 9.3 mtt -35.8 -65.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 45.65 -172.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 65.4 p 48.87 43.66 21.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.899 0.381 . . . . 0.0 110.787 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 43.4 25.04 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -44.91 121.85 4.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.561 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 5.99 1.46 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.728 2.286 . . . . 0.0 112.41 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 82.6 p 52.46 43.05 31.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 64.8 p -102.09 151.05 22.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -105.19 123.43 47.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 0.0 110.894 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -68.02 -53.99 21.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.791 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.22 123.57 3.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -174.85 162.96 3.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.815 0.34 . . . . 0.0 110.816 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -63.71 149.4 46.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.24 -92.38 0.97 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -66.12 153.09 43.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.364 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.502 ' O ' HG23 ' A' ' 11' ' ' THR . 29.1 mttp -131.01 115.6 16.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 10' ' ' ILE . 5.4 mp -35.73 122.89 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 9' ' ' LYS . 6.8 p -131.59 36.15 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.192 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -61.62 113.85 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HB2' ' CE2' ' A' ' 19' ' ' TYR . 38.7 mt -115.65 -36.73 4.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -45.51 -38.3 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.545 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 37.6 pt -49.15 -35.69 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.545 ' CZ ' HD11 ' A' ' 15' ' ' ILE . 38.2 m-85 -84.47 172.85 11.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 17' ' ' GLU . 15.3 pm0 -106.97 -32.43 7.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.473 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 13.9 p-90 -67.67 -3.18 8.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.544 ' CE2' ' HB2' ' A' ' 13' ' ' LEU . 8.2 t80 -99.61 77.6 2.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -67.88 116.46 8.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.69 149.52 41.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.0 t30 74.74 44.73 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.957 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 9.8 pt -134.26 -179.4 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.149 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' ARG . 11.9 t -135.57 167.78 20.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' THR . 8.6 tpp85 -38.0 -54.89 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.792 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -50.11 -52.59 33.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -54.25 -56.51 17.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.42 ' HA ' HD11 ' A' ' 42' ' ' ILE . . . -43.58 -61.28 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.029 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.01 -60.65 3.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 31' ' ' LEU . 86.2 t60 -42.29 -64.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.437 ' CD2' ' HA3' ' A' ' 118' ' ' GLY . 27.9 mt -35.25 -52.85 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.421 HD23 HG21 ' A' ' 114' ' ' VAL . 78.9 mt -57.68 -54.06 51.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.0 mmm-85 -41.11 -53.26 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -40.2 -44.87 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -77.17 -41.81 40.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 m 43.78 46.67 6.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 38' ' ' GLU . 5.7 pttm -140.89 116.73 10.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 37' ' ' LYS . 9.2 tt0 -36.56 115.96 0.39 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.48 -37.13 1.99 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.78 111.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.752 ' CG ' HD22 ' A' ' 110' ' ' LEU . 3.2 p90 -135.5 157.48 46.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.481 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 25.6 pt -156.45 158.81 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.2 t -122.96 110.81 27.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.16 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -104.97 159.16 16.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -85.48 143.96 28.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 48' ' ' HIS . 4.0 m -92.16 82.71 5.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 46' ' ' SER . 3.4 mtp85 -35.94 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.615 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -58.5 -53.84 53.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.615 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 0.5 OUTLIER -148.27 -174.97 4.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.8 42.79 1.34 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.465 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.6 p -107.26 -177.53 3.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.931 0.396 . . . . 0.0 110.919 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.559 ' HB2' HD12 ' A' ' 73' ' ' ILE . 96.8 m-85 -149.83 141.54 23.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.7 m -124.28 131.42 53.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.3 mt -94.62 139.33 18.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.6 m -119.19 98.29 6.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.436 HG22 ' CB ' ' A' ' 41' ' ' PHE . 28.4 t -101.73 145.16 12.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.187 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.546 ' HE1' ' HB1' ' A' ' 66' ' ' ALA . 52.9 t80 -92.66 117.85 30.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 mmt -86.35 -54.53 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.57 ' H ' ' HB3' ' A' ' 67' ' ' ALA . . . 93.81 115.34 2.54 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.12 119.35 6.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.71 0.291 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.438 ' HD2' ' C ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -88.0 -34.31 18.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 14.9 tpt180 -67.56 -45.14 76.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.0 m -126.91 -179.73 4.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.529 HG22 ' O ' ' A' ' 64' ' ' THR . 12.7 m -87.58 37.46 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.125 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -95.28 -176.14 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.546 ' HB1' ' HE1' ' A' ' 57' ' ' PHE . . . -115.64 132.28 56.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.57 ' HB3' ' H ' ' A' ' 59' ' ' GLY . . . -117.53 131.46 56.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.03 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 27.9 mt -135.7 132.88 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 1.0 OUTLIER -105.4 174.08 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -143.54 106.6 4.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.43 ' HB3' HG11 ' A' ' 83' ' ' VAL . 3.1 m-85 -100.45 113.75 26.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -82.38 136.65 34.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 52' ' ' TYR . 62.5 mt -95.38 106.57 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.179 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.0 mtmt -98.4 174.41 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -121.5 139.59 53.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.446 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 29.2 p30 -86.9 -176.26 5.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -66.88 -31.01 71.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -83.56 17.46 2.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.77 48.29 79.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.515 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 54.0 mt-30 -121.92 146.35 47.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.522 ' HE3' HG22 ' A' ' 73' ' ' ILE . 93.0 m95 -85.48 136.61 33.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -155.57 157.29 36.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.43 HG11 ' HB3' ' A' ' 71' ' ' TYR . 83.8 t -130.91 -45.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.64 -7.04 58.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 66.81 25.07 9.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -133.43 -32.08 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -120.5 113.72 20.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.515 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -104.49 143.98 32.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 75.5 m-85 -122.37 -175.64 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -112.83 -21.48 11.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 m -133.61 148.95 51.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.829 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.717 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 19.3 mm -59.22 -47.71 97.75 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.686 0.755 . . . . 0.0 111.143 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.717 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.2 Cg_endo -69.8 -5.87 17.26 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.661 2.241 . . . . 0.0 112.394 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -92.8 -39.13 11.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 2.8 tt -58.44 -36.66 73.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.743 HG23 HD12 ' A' ' 110' ' ' LEU . 20.2 mm -87.92 -17.5 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.069 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.3 t-105 -55.19 -46.59 75.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 99' ' ' HIS . 11.9 m-85 -88.21 -54.36 4.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.427 ' C ' ' O ' ' A' ' 98' ' ' TYR . 6.0 m-70 -36.11 -36.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.83 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.477 HE21 HG22 ' A' ' 96' ' ' ILE . 18.7 mt-30 -43.8 -54.43 5.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -89.6 -47.81 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 103' ' ' ALA . 62.2 m-80 -100.6 85.57 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.594 ' HB2' ' HB3' ' A' ' 109' ' ' ARG . . . -36.74 -41.53 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 43.88 36.32 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.66 -46.42 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 107' ' ' MET . 5.5 mp -141.05 141.78 34.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.81 0.338 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 106' ' ' LEU . 36.4 ttm -35.44 -50.88 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 90.6 m -78.64 140.81 38.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.594 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -127.21 149.52 49.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.752 HD22 ' CG ' ' A' ' 41' ' ' PHE . 23.4 mt -50.01 115.68 1.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 7.6 ptp180 -126.52 -39.5 2.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -107.0 85.15 1.81 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.669 0.747 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.76 83.31 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.718 2.279 . . . . 0.0 112.343 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.481 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 72.3 t -33.96 124.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.15 156.82 47.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.3 -60.83 3.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.938 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 33.6 mmt -54.21 90.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.437 ' HA3' ' CD2' ' A' ' 31' ' ' LEU . . . -95.86 -99.4 1.82 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 20.6 t -174.73 157.15 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.819 0.342 . . . . 0.0 110.849 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 m -167.48 171.62 10.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -152.19 146.24 14.71 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -172.08 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.321 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 25.6 p -152.3 178.08 9.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.747 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.7 m 55.65 42.72 29.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.232 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -107.9 -60.2 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 110.867 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -117.91 156.99 27.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.55 82.23 0.21 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.8 p -118.47 124.61 48.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 p -84.34 -51.49 6.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.26 161.68 9.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 m120 64.45 43.74 4.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -91.29 143.58 26.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.782 ' H ' HD12 ' A' ' 10' ' ' ILE . 5.4 mp -35.97 135.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.128 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.5 m -88.65 96.69 10.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -91.43 108.07 19.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.517 HD21 ' HD3' ' A' ' 93' ' ' PRO . 95.4 mt -106.4 -38.96 6.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -44.66 -38.98 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.659 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 44.0 pt -47.62 -37.03 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.659 ' CZ ' HD11 ' A' ' 15' ' ' ILE . 13.6 m-85 -80.03 170.22 16.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.938 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HB2' ' CA ' ' A' ' 115' ' ' GLY . 1.3 pm0 -105.08 -33.63 8.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.486 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 20.4 p-90 -65.53 -16.05 63.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.584 ' CE2' ' HD3' ' A' ' 21' ' ' ARG . 8.9 t80 -86.05 76.21 9.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.421 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 26.1 m-70 -73.26 100.7 3.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.584 ' HD3' ' CE2' ' A' ' 19' ' ' TYR . 21.3 ptt-85 -100.13 163.94 12.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.478 ' ND2' ' HG3' ' A' ' 21' ' ' ARG . 3.0 m-20 62.34 41.49 10.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.432 ' HB ' ' CB ' ' A' ' 27' ' ' GLN . 18.9 pt -128.51 177.12 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.52 HG22 ' HG2' ' A' ' 27' ' ' GLN . 10.5 t -130.08 163.38 26.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.0 OUTLIER -34.45 -58.35 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.84 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -47.78 -51.11 23.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' HG2' HG22 ' A' ' 24' ' ' THR . 15.3 mm100 -52.73 -60.77 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.459 ' HA ' ' CD1' ' A' ' 42' ' ' ILE . . . -39.15 -64.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.072 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -56.54 -52.43 64.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' LEU . 86.6 t60 -47.25 -66.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' HA ' ' NE2' ' A' ' 34' ' ' GLN . 18.2 mt -34.48 -42.79 0.15 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 55' ' ' SER . 55.8 mt -67.34 -55.71 12.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 33' ' ' ARG . 6.0 mmm180 -41.44 -48.41 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' A' ' 31' ' ' LEU . 31.2 mt-30 -44.4 -42.71 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -78.69 -43.6 25.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t 50.4 50.57 18.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.605 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 15.4 ptpt -145.05 140.45 28.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -56.21 125.1 20.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 40' ' ' ALA . . . 122.02 -43.26 1.51 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.462 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' GLY . . . -36.3 109.93 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 111.154 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 110' ' ' LEU . 5.8 p90 -133.31 160.31 37.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.473 ' CG2' ' HB ' ' A' ' 114' ' ' VAL . 27.5 pt -154.42 164.63 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.4 t -123.53 102.85 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.412 ' HB3' HD11 ' A' ' 23' ' ' ILE . 23.2 ptt85 -99.18 165.42 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.24 138.41 34.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 48' ' ' HIS . 2.0 m -92.04 74.01 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 46' ' ' SER . 37.1 ttp85 -34.58 -36.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.583 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -50.28 -54.61 20.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.836 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.583 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 2.3 tp -135.23 172.99 12.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.5 45.29 1.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.1 m -123.17 -176.99 3.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -131.25 170.18 14.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.8 m -146.27 134.41 21.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.187 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 27.5 mt -100.34 130.58 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.521 ' HB3' HD11 ' A' ' 32' ' ' LEU . 3.6 m -113.43 101.0 8.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.484 HG11 HG22 ' A' ' 108' ' ' THR . 23.9 t -100.14 150.19 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.486 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 73.4 t80 -97.14 102.7 14.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.451 ' HG3' ' CE ' ' A' ' 69' ' ' LYS . 5.6 mmt -69.23 -50.35 47.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.34 110.17 2.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.9 175.98 0.34 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.796 0.332 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -63.62 -52.33 61.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 -103.22 142.33 34.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.8 p -49.46 -43.66 45.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.2 m -47.39 -22.83 0.48 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.094 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -117.48 172.09 7.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.486 ' HB1' ' CE1' ' A' ' 57' ' ' PHE . . . -142.3 169.23 17.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.09 123.01 10.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.3 mt -130.01 137.43 56.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.451 ' CE ' ' HG3' ' A' ' 58' ' ' MET . 14.1 mptt -111.9 161.83 15.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -130.0 110.9 12.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.935 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -107.13 105.29 15.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -77.12 125.53 29.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.566 HG12 HG22 ' A' ' 83' ' ' VAL . 57.9 mt -83.35 113.41 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -99.8 177.66 5.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.834 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' CD ' ' HA2' ' A' ' 79' ' ' GLY . 1.0 OUTLIER -129.07 139.8 51.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.471 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -94.44 -176.84 4.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -56.54 -31.89 64.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.416 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 1.7 m -80.38 16.81 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.83 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 75' ' ' LYS . . . 48.99 39.34 25.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.482 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.496 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . 49.6 mt-30 -111.14 140.33 45.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.411 ' CZ2' ' HE3' ' A' ' 75' ' ' LYS . 75.1 m95 -79.86 140.07 36.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 5.1 p90 -153.67 154.31 33.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.961 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.732 HG23 HD11 ' A' ' 95' ' ' LEU . 92.3 t -112.66 -58.32 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.99 -5.22 33.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.573 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.3 mt-10 68.33 25.02 7.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 86' ' ' ARG . 1.4 mmp_? -133.22 -33.09 1.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -112.91 104.6 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.809 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.496 ' HB1' ' CB ' ' A' ' 80' ' ' GLN . . . -96.38 136.5 36.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 77.4 m-85 -112.03 -174.98 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -103.69 -25.51 13.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.2 m -139.56 151.6 46.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.695 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.5 mm -59.25 -49.23 93.88 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.604 0.716 . . . . 0.0 111.056 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.695 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.78 1.13 4.73 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 0.1 OUTLIER -99.84 -39.86 7.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.732 HD11 HG23 ' A' ' 83' ' ' VAL . 1.1 tt -56.05 -38.22 70.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.469 HG23 ' CD1' ' A' ' 110' ' ' LEU . 17.2 mm -81.69 -28.65 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.423 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 18.8 t-105 -44.09 -45.23 7.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -85.38 -43.17 13.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -43.09 -39.95 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.825 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -55.5 -43.96 76.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -79.18 -44.8 21.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.77 117.82 14.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.55 ' HB2' ' HA ' ' A' ' 109' ' ' ARG . . . -60.44 93.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.87 88.01 7.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.084 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 140.18 173.25 13.22 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 tt -74.24 78.43 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 2.6 ptp -175.09 162.21 3.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.484 HG22 HG11 ' A' ' 56' ' ' VAL . 14.8 t -62.12 171.72 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.55 ' HA ' ' HB2' ' A' ' 103' ' ' ALA . 10.6 ttp180 -93.99 118.51 31.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . 16.9 mt -45.96 121.05 2.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 113' ' ' PRO . 57.1 mtp85 -116.09 -59.16 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.605 ' CD2' ' HD2' ' A' ' 37' ' ' LYS . 13.0 m-85 -102.35 96.77 7.61 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.659 0.742 . . . . 0.0 110.937 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 112' ' ' TYR . 53.9 Cg_endo -69.7 79.16 0.94 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.702 2.268 . . . . 0.0 112.361 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.473 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 90.4 t -38.38 112.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.445 ' CA ' ' HB2' ' A' ' 17' ' ' GLU . . . -102.86 154.95 18.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.508 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 117' ' ' MET . 10.3 mp -42.16 -56.52 2.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 116' ' ' LEU . 34.4 mtm -34.09 -60.27 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 51.09 -173.28 0.13 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.435 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.0 t -130.86 87.86 2.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 m -175.05 172.76 2.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 150.5 65.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.525 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -49.76 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.257 . . . . 0.0 112.319 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 67.3 m -119.06 169.73 9.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 61.1 m -162.09 165.65 26.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.76 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.429 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -81.54 106.23 13.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.796 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.1 m -93.35 173.23 7.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.55 -178.45 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 p -83.74 -58.89 2.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.867 0.365 . . . . 0.0 110.831 -179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 64.47 39.94 6.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.828 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.52 -110.09 3.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.536 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -95.54 110.43 22.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.07 37.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.9 mt -86.1 141.47 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 m 71.22 51.16 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.195 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -59.06 118.95 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.0 mt -120.93 -27.96 4.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -48.97 -39.22 25.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.451 HG13 ' N ' ' A' ' 16' ' ' TYR . 22.2 pt -52.34 -29.31 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.065 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 41.2 m-85 -80.14 166.99 20.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.56 -32.32 8.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 9.4 p-90 -75.43 5.87 5.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.41 ' O ' ' CG ' ' A' ' 19' ' ' TYR . 11.7 t80 -104.3 75.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -74.98 102.64 4.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.5 ptt85 -99.79 157.67 16.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.5 t30 69.03 43.58 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.927 HD11 ' HB3' ' A' ' 44' ' ' ARG . 16.1 pt -131.11 173.79 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.5 t -133.57 169.24 17.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -41.67 -46.51 3.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -57.22 -49.97 74.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -57.41 -55.16 38.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.52 -59.75 3.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.565 ' HA ' HD13 ' A' ' 68' ' ' ILE . 17.9 mt-10 -53.74 -57.19 11.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 31' ' ' LEU . 61.0 t60 -53.56 -66.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 30' ' ' HIS . 23.0 mt -34.25 -54.16 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.462 HD11 ' HB3' ' A' ' 55' ' ' SER . 48.1 mt -54.37 -52.55 61.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -48.19 -26.63 2.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.427 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 18.7 mm-40 -57.67 -36.07 71.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -88.5 -40.54 13.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.2 p 51.85 46.74 26.07 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.485 ' HD2' ' CD2' ' A' ' 112' ' ' TYR . 3.5 ptpt -146.98 127.96 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.823 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -44.05 136.53 3.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.41 -34.32 5.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.58 108.95 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.363 . . . . 0.0 111.101 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.675 ' CG ' HD22 ' A' ' 110' ' ' LEU . 16.0 p90 -132.82 162.56 31.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.597 HG23 ' O ' ' A' ' 41' ' ' PHE . 16.8 pt -160.52 156.77 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.432 HG22 HG12 ' A' ' 54' ' ' ILE . 95.3 t -116.68 114.43 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.195 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.927 ' HB3' HD11 ' A' ' 23' ' ' ILE . 18.7 ptt85 -111.1 162.95 14.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -92.81 137.91 31.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.809 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 66.4 m -74.03 139.08 44.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -81.59 -46.05 14.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.434 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.5 p80 -50.71 -38.87 49.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.628 HD23 ' N ' ' A' ' 50' ' ' GLY . 0.8 OUTLIER -156.18 176.59 12.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.628 ' N ' HD23 ' A' ' 49' ' ' LEU . . . -74.11 45.33 1.41 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.13 -177.4 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.863 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.475 ' HB3' HD12 ' A' ' 73' ' ' ILE . 58.8 m-85 -130.01 153.69 48.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.4 m -145.29 134.75 23.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.432 HG12 HG22 ' A' ' 43' ' ' VAL . 41.1 mt -102.69 131.33 51.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.462 ' HB3' HD11 ' A' ' 32' ' ' LEU . 27.3 m -114.16 102.37 10.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.558 HG22 ' CB ' ' A' ' 41' ' ' PHE . 33.2 t -101.5 148.02 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.531 ' CE2' ' HA2' ' A' ' 59' ' ' GLY . 55.6 t80 -99.8 110.36 22.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mmt -69.09 -54.19 16.32 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.531 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . 107.47 145.23 11.91 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.534 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.85 82.88 7.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 0.0 111.1 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 63' ' ' SER . 18.5 mmt180 -90.05 85.5 6.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 61' ' ' ARG . 13.7 mmp_? 35.04 35.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.565 ' O ' HG23 ' A' ' 64' ' ' THR . 28.4 p -128.77 -54.84 1.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.565 HG23 ' O ' ' A' ' 63' ' ' SER . 24.5 p -160.32 151.69 19.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.114 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' O ' ' C ' ' A' ' 66' ' ' ALA . 34.3 mt-10 -44.33 169.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 65' ' ' GLU . . . -32.48 119.56 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.063 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -107.4 133.72 51.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.05 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.565 HD13 ' HA ' ' A' ' 29' ' ' GLU . 24.8 mt -135.2 126.21 45.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.518 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 11.9 mptt -101.31 167.19 10.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -139.22 107.2 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 69' ' ' LYS . 2.3 m-85 -100.2 104.87 16.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -74.93 124.9 27.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.475 HD12 ' HB3' ' A' ' 52' ' ' TYR . 19.0 mt -85.58 101.9 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.071 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 74' ' ' LYS . 1.1 mppt? -96.41 172.38 7.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -125.07 139.03 54.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.458 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -97.56 -177.12 3.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.54 -31.34 64.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.407 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 2.4 m -80.79 18.47 0.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 47.1 41.26 14.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.438 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.506 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . 60.0 mt-30 -112.32 137.72 50.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.931 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.414 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 85.4 m95 -82.43 132.91 35.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.97 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.472 ' C ' ' CD1' ' A' ' 82' ' ' TYR . 4.8 p90 -151.88 155.61 38.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.513 HG22 HD11 ' A' ' 95' ' ' LEU . 5.1 m -125.3 -43.58 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.12 -2.33 36.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 1.3 mt-10 59.08 25.0 13.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -132.97 -32.34 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 57.3 m-70 -120.74 114.58 21.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.506 ' HB1' ' HB3' ' A' ' 80' ' ' GLN . . . -105.84 135.93 46.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 54.5 m-85 -110.82 -175.84 2.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -104.05 -27.9 11.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.0 m -135.95 155.58 50.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.689 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 8.2 mm -60.44 -48.91 92.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.61 0.719 . . . . 0.0 111.074 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.689 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.9 Cg_endo -69.71 2.58 3.38 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.695 2.263 . . . . 0.0 112.323 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 10.7 mt-10 -99.35 -42.77 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 1.3 tt -55.49 -34.68 64.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.54 HD13 HD23 ' A' ' 95' ' ' LEU . 7.0 mm -88.81 -19.47 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.061 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.402 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.1 t-105 -54.46 -47.4 72.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -84.22 -49.84 8.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -40.64 -39.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.843 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -56.15 -41.38 75.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -82.9 -55.28 4.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -79.29 -177.53 5.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -114.17 41.21 2.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.12 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.68 172.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 73.88 -91.68 0.7 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 107' ' ' MET . 7.2 mp -120.63 156.66 31.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 106' ' ' LEU . 7.8 mmt -34.69 -39.74 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 97.4 m -79.67 143.37 34.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.173 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.6 ptt85 -117.98 141.63 48.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.675 HD22 ' CG ' ' A' ' 41' ' ' PHE . 53.0 mt -44.81 134.62 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.487 ' HG3' ' CD2' ' A' ' 112' ' ' TYR . 0.7 OUTLIER -134.98 -50.72 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.487 ' CD2' ' HG3' ' A' ' 111' ' ' ARG . 11.1 m-85 -105.53 90.17 3.88 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.685 0.755 . . . . 0.0 110.856 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.497 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.86 79.6 0.97 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.66 2.24 . . . . 0.0 112.293 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.466 ' HB ' ' CG2' ' A' ' 42' ' ' ILE . 69.7 t -48.16 123.36 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -97.56 -179.16 33.76 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 12.8 mt -70.18 -62.48 1.37 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.82 0.343 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 10.7 ptp -55.94 -51.38 67.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.783 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 69.39 -82.66 0.27 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.6 p -132.59 149.88 52.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 60.5 p -87.0 179.14 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -77.21 174.96 54.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 2.7 3.25 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.692 2.262 . . . . 0.0 112.362 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 69.4 p -41.68 -49.07 4.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.4 m -93.08 130.15 38.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 -179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 m -119.09 81.91 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.819 0.342 . . . . 0.0 110.838 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t 39.38 42.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.808 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.75 71.64 0.28 Allowed Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.524 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -82.83 -56.25 3.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.879 0.371 . . . . 0.0 110.879 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -111.25 152.06 27.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.47 124.21 0.79 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.539 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -156.92 172.95 17.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.936 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.92 145.56 2.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.485 HG22 ' OD1' ' A' ' 12' ' ' ASN . 62.9 mt -49.47 149.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.457 ' C ' ' CG ' ' A' ' 12' ' ' ASN . 74.3 p -95.79 -50.74 4.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.485 ' OD1' HG22 ' A' ' 10' ' ' ILE . 0.8 OUTLIER 48.58 54.89 9.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.595 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 6.5 mt -72.19 -20.73 61.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -47.1 -36.16 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.479 HG13 ' N ' ' A' ' 16' ' ' TYR . 31.5 pt -52.53 -33.23 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.479 ' N ' HG13 ' A' ' 15' ' ' ILE . 63.4 m-85 -77.49 -178.21 5.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -116.84 -36.42 3.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.4 ' CZ3' ' HB2' ' A' ' 19' ' ' TYR . 10.0 p-90 -68.11 -2.29 7.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.595 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 5.5 t80 -97.23 89.42 4.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.401 ' CD2' ' CG2' ' A' ' 42' ' ' ILE . 42.5 m-70 -82.44 106.49 14.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 7.2 ptm180 -109.02 155.2 21.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 73.26 40.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.0 pt -133.08 178.2 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 25' ' ' ARG . 9.4 t -133.81 164.58 26.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 24' ' ' THR . 20.4 ttt180 -36.54 -53.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -51.01 -51.0 57.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -57.34 -57.99 10.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.41 -48.9 3.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.134 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.488 ' HA ' HD12 ' A' ' 32' ' ' LEU . 14.6 mt-10 -69.08 -57.4 5.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.439 ' CD2' ' C ' ' A' ' 30' ' ' HIS . 2.6 t-160 -45.98 -60.05 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.6 mt -41.01 -47.22 3.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 29' ' ' GLU . 6.6 mt -66.77 -46.1 76.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -43.2 -43.11 4.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -56.51 -44.26 80.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.78 -54.17 45.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.581 ' HA ' ' CE2' ' A' ' 57' ' ' PHE . 45.9 p 52.82 52.17 14.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -156.55 119.29 4.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.441 ' O ' ' NE ' ' A' ' 111' ' ' ARG . 20.9 tt0 -43.23 117.97 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 134.69 -36.3 2.09 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.39 113.0 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.769 ' CG ' HD22 ' A' ' 110' ' ' LEU . 6.4 p90 -133.44 155.31 49.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.401 ' CG2' ' CD2' ' A' ' 20' ' ' HIS . 16.2 pt -150.62 164.78 2.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.7 t -122.59 105.78 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 44' ' ' ARG . 1.6 ptm85 -101.98 161.62 13.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.4 OUTLIER -93.59 142.14 27.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' HIS . 2.5 m -92.45 76.09 5.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.853 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 46' ' ' SER . 0.8 OUTLIER -35.26 -32.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 1.0 OUTLIER -53.05 -52.7 57.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 1.2 tp -137.86 177.17 8.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.42 45.7 1.83 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.481 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.8 m -124.78 -177.72 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.371 . . . . 0.0 110.859 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -133.29 170.54 15.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.937 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.7 m -146.43 146.12 30.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.16 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 38.7 mt -105.5 140.59 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.3 m -124.31 100.81 6.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.829 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.628 HG11 HG21 ' A' ' 108' ' ' THR . 19.7 t -102.63 147.95 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.114 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.654 ' CE1' ' HB1' ' A' ' 66' ' ' ALA . 44.2 t80 -95.31 96.43 9.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.816 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.0 mmt -59.33 -50.46 73.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.474 ' HA2' ' CE2' ' A' ' 57' ' ' PHE . . . 123.75 143.12 6.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.439 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.729 ' HB2' ' HA ' ' A' ' 66' ' ' ALA . . . -82.07 78.49 8.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 111.128 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -85.55 -59.91 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.556 HH11 HG23 ' A' ' 64' ' ' THR . 1.2 tmt_? -68.41 154.74 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 62' ' ' ARG . 3.0 t -31.03 -41.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.556 HG23 HH11 ' A' ' 62' ' ' ARG . 44.9 p -49.38 176.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 66' ' ' ALA . 58.6 mt-10 -88.06 -174.42 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.729 ' HA ' ' HB2' ' A' ' 60' ' ' ALA . . . -36.4 155.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.58 124.15 41.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.7 mt -130.52 128.14 63.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -102.02 155.64 18.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -125.88 106.24 9.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.433 ' HB3' HG13 ' A' ' 83' ' ' VAL . 7.5 m-85 -98.6 103.53 15.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.92 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -74.72 119.54 19.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 78.2 mt -80.49 99.92 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -97.79 178.07 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.81 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -113.21 130.93 56.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.577 ' ND2' ' H ' ' A' ' 80' ' ' GLN . 0.2 OUTLIER -82.47 -174.88 5.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -61.28 -31.11 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.412 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 4.2 m -77.31 13.69 1.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 54.53 34.44 55.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.577 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 6.2 mm100 -119.96 159.62 24.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.726 0.298 . . . . 0.0 110.912 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 37.2 m95 -81.02 144.57 31.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.501 ' CD2' ' HB3' ' A' ' 76' ' ' ASN . 16.3 p90 -158.85 155.21 27.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.433 HG13 ' HB3' ' A' ' 71' ' ' TYR . 76.4 t -125.4 -53.51 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.26 2.32 11.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.498 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 2.2 mt-10 57.48 26.31 12.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -134.95 -32.29 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -123.87 129.9 51.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.801 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.449 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -117.92 168.92 10.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.568 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 25.2 m-85 -144.88 170.02 16.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.798 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.501 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 44.4 mt-30 -94.55 -17.29 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.956 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 m -137.86 147.29 44.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.707 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 13.1 mm -60.17 -48.06 95.22 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.622 0.725 . . . . 0.0 111.2 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.707 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.3 Cg_endo -69.92 0.73 5.34 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.627 2.218 . . . . 0.0 112.315 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -98.47 -39.95 8.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.568 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.6 tt -57.2 -35.34 69.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.96 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.433 HD13 HD23 ' A' ' 95' ' ' LEU . 8.8 mm -87.56 -20.52 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 19.1 t-105 -52.93 -44.88 67.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.988 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -85.81 -52.15 5.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.515 ' CE1' ' HB3' ' A' ' 104' ' ' ALA . 7.8 m-70 -38.84 -34.64 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -54.15 -53.62 50.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -74.72 -54.82 6.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -99.65 135.92 40.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.589 ' HB2' ' HB2' ' A' ' 109' ' ' ARG . . . -80.78 113.36 18.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.515 ' HB3' ' CE1' ' A' ' 99' ' ' HIS . . . -127.62 40.47 3.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -142.72 -149.25 5.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 108' ' ' THR . 4.5 mm? -66.88 76.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.773 0.32 . . . . 0.0 110.869 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 106' ' ' LEU . 63.4 mtt 37.13 29.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.628 HG21 HG11 ' A' ' 56' ' ' VAL . 94.6 m -120.5 138.73 53.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.13 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.589 ' HB2' ' HB2' ' A' ' 103' ' ' ALA . 10.5 ttp180 -117.69 92.07 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.769 HD22 ' CG ' ' A' ' 41' ' ' PHE . 46.9 mt -32.52 109.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.441 ' NE ' ' O ' ' A' ' 38' ' ' GLU . 16.1 ptt180 -122.71 -32.01 3.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -109.19 83.68 2.47 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.683 0.754 . . . . 0.0 110.942 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.47 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 53.4 Cg_endo -69.77 79.56 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.661 2.241 . . . . 0.0 112.339 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.1 t -46.21 111.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.69 160.83 50.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.464 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 13.9 mt -39.82 -61.85 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.34 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 14.3 mtt -57.56 89.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -147.85 39.57 1.0 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.524 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.9 m -141.26 173.38 11.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.8 m -162.1 178.22 9.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.776 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -176.73 125.86 1.07 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.527 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -49.5 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.241 . . . . 0.0 112.35 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 47.1 t -164.47 128.32 2.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 58.3 m -129.69 109.89 11.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.5 t -89.78 99.3 12.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.949 0.404 . . . . 0.0 110.836 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -94.42 41.99 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.74 -162.21 1.71 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m 50.26 42.84 26.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.925 0.393 . . . . 0.0 110.865 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 m -52.73 -59.02 4.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.35 -129.82 9.43 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.437 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -76.67 134.27 39.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.52 114.13 28.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.951 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.2 mt -74.59 147.5 8.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.186 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 m -134.92 94.97 3.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -91.08 112.06 23.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.601 HD21 ' HD3' ' A' ' 93' ' ' PRO . 32.1 mt -116.5 -31.69 5.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -42.98 -40.88 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.502 HD11 ' CZ ' ' A' ' 16' ' ' TYR . 37.0 pt -45.84 -39.16 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.502 ' CZ ' HD11 ' A' ' 15' ' ' ILE . 23.2 m-85 -75.09 164.34 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -102.95 -29.28 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.437 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 17.2 p-90 -71.49 -10.66 60.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.498 ' CG ' ' O ' ' A' ' 19' ' ' TYR . 3.8 t80 -87.93 74.49 8.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.496 ' CD2' HG22 ' A' ' 42' ' ' ILE . 11.4 m-70 -70.14 110.89 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.62 156.99 22.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 64.0 t30 69.79 39.91 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.502 HD11 ' HB3' ' A' ' 44' ' ' ARG . 11.4 pt -129.82 176.99 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.466 HG22 ' HG2' ' A' ' 27' ' ' GLN . 13.7 t -131.67 162.13 31.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 24' ' ' THR . 3.5 tpp85 -35.72 -52.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -53.03 -51.72 60.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.466 ' HG2' HG22 ' A' ' 24' ' ' THR . 15.8 mm100 -55.5 -53.58 54.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.08 -58.38 4.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.067 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -62.95 -60.46 3.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CD2' HE21 ' A' ' 34' ' ' GLN . 82.1 t60 -44.08 -63.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 30' ' ' HIS . 53.2 mt -35.41 -50.84 0.59 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.408 HD11 ' HB3' ' A' ' 55' ' ' SER . 24.7 mt -58.59 -51.21 70.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -41.42 -43.98 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.506 HE21 ' CD2' ' A' ' 30' ' ' HIS . 38.0 mt-30 -51.67 -40.44 60.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -73.51 -47.66 39.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.585 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 6.1 m 52.91 47.24 25.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.583 ' HD2' ' CD1' ' A' ' 112' ' ' TYR . 7.3 ptpp? -144.24 153.25 41.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -76.81 115.13 16.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 111' ' ' ARG . . . 137.52 -33.59 2.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 112' ' ' TYR . . . -50.53 132.04 25.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 111.058 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.782 ' CD2' HD13 ' A' ' 110' ' ' LEU . 9.4 p90 -153.58 158.77 41.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 41' ' ' PHE . 17.2 pt -158.16 156.8 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.46 HG22 HG12 ' A' ' 54' ' ' ILE . 67.1 t -120.2 108.5 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' HB3' HD11 ' A' ' 23' ' ' ILE . 7.7 ptm180 -98.11 164.29 12.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.53 134.65 40.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' LEU . 73.1 m -72.3 135.17 45.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -79.2 -45.68 19.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 49' ' ' LEU . 2.3 p80 -52.83 -39.44 62.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 6.4 tp -154.88 178.06 10.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.53 45.68 1.57 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.57 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.9 m -95.63 179.58 5.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.908 0.385 . . . . 0.0 110.82 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.805 ' HB2' HD12 ' A' ' 73' ' ' ILE . 41.0 m-85 -140.18 139.06 35.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 71' ' ' TYR . 63.1 m -130.02 129.31 43.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.46 HG12 HG22 ' A' ' 43' ' ' VAL . 11.7 mt -92.44 146.53 6.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.206 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.408 ' HB3' HD11 ' A' ' 32' ' ' LEU . 18.2 m -132.11 100.42 5.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.534 HG22 ' CB ' ' A' ' 41' ' ' PHE . 28.9 t -99.34 150.92 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.585 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 28.8 t80 -98.66 120.82 39.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.421 ' CG ' ' HD3' ' A' ' 69' ' ' LYS . 10.8 mmt -89.56 -49.75 6.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.406 ' CA ' ' CE1' ' A' ' 57' ' ' PHE . . . 88.89 119.33 1.66 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.524 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.46 177.67 8.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.8 0.333 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -81.75 41.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.506 ' CG ' HG22 ' A' ' 64' ' ' THR . 12.4 tpt180 -175.0 152.27 1.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 28.1 t -71.12 -47.9 55.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.506 HG22 ' CG ' ' A' ' 62' ' ' ARG . 6.0 t -58.27 -18.25 25.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.091 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -114.06 161.38 17.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.936 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.55 150.2 22.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -120.71 134.47 55.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.5 mt -138.54 134.38 43.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.09 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.424 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 1.2 mptp? -101.72 164.54 11.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -138.11 105.03 5.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.587 ' O ' HG23 ' A' ' 53' ' ' THR . 4.7 m-85 -101.17 134.91 43.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -99.93 144.39 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.805 HD12 ' HB2' ' A' ' 52' ' ' TYR . 65.8 mt -108.21 110.97 33.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 11.5 mtmm -118.12 165.14 14.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.8 ttmt -112.68 131.28 55.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.85 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 80' ' ' GLN . 0.3 OUTLIER -82.63 -177.94 6.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -58.36 -30.39 66.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.407 ' H ' ' CG ' ' A' ' 76' ' ' ASN . 1.5 t -80.71 16.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 49.56 51.36 27.92 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.438 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.641 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . 86.6 mt-30 -130.54 142.22 50.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -79.6 138.87 37.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.521 ' CD1' ' HA ' ' A' ' 85' ' ' GLU . 8.6 p90 -155.01 160.31 40.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.767 HG23 HD11 ' A' ' 95' ' ' LEU . 88.3 t -125.39 -50.17 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.627 ' HB2' ' CD2' ' A' ' 106' ' ' LEU . . . -78.1 1.79 20.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.521 ' HA ' ' CD1' ' A' ' 82' ' ' TYR . 2.3 mt-10 60.88 24.94 14.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -133.25 -32.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -115.32 116.67 28.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.641 ' HB1' ' CB ' ' A' ' 80' ' ' GLN . . . -106.78 142.11 36.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 54.3 m-85 -118.84 -175.67 2.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -110.02 -24.44 10.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.7 m -134.72 151.5 51.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.68 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 9.8 mm -59.73 -49.27 92.62 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.614 0.721 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.68 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 53.9 Cg_endo -69.71 -1.13 7.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 9.1 mt-10 -96.55 -38.98 9.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.767 HD11 HG23 ' A' ' 83' ' ' VAL . 1.3 tt -57.38 -38.17 73.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.913 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.589 HD13 HD23 ' A' ' 95' ' ' LEU . 17.0 mm -84.36 -24.92 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.412 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 19.2 t-105 -47.07 -44.84 21.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.487 ' O ' ' N ' ' A' ' 100' ' ' GLN . 4.8 m-85 -86.67 -54.59 4.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 98' ' ' TYR . 0.7 OUTLIER -34.38 -33.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 98' ' ' TYR . 30.5 mt-30 -64.89 -53.9 39.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 98' ' ' TYR . 3.5 m170 -64.96 -47.3 78.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -134.11 145.14 49.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 106' ' ' LEU . . . -81.72 93.64 6.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.525 ' O ' HD23 ' A' ' 106' ' ' LEU . . . -70.45 83.11 0.58 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 61.24 7.0 8.43 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.627 ' CD2' ' HB2' ' A' ' 84' ' ' ALA . 4.4 mm? -105.61 160.69 14.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.496 ' O ' ' C ' ' A' ' 108' ' ' THR . 3.2 tpp -55.96 -178.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.818 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.496 ' C ' ' O ' ' A' ' 107' ' ' MET . 67.9 m -30.23 137.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -63.87 171.15 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.782 HD13 ' CD2' ' A' ' 41' ' ' PHE . 9.2 mt -94.67 123.52 38.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.409 ' HG2' ' HA3' ' A' ' 39' ' ' GLY . 20.9 ptt180 -126.88 -23.9 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.583 ' CD1' ' HD2' ' A' ' 37' ' ' LYS . 14.0 m-85 -110.87 84.35 4.21 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.656 0.741 . . . . 0.0 110.972 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.454 ' HA ' ' CE1' ' A' ' 41' ' ' PHE . 54.1 Cg_endo -69.73 79.75 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.615 2.21 . . . . 0.0 112.325 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 69.4 t -37.93 121.62 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.76 163.4 40.49 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 117' ' ' MET . 12.6 mt -72.47 -60.21 2.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.778 0.323 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 116' ' ' LEU . 11.1 ptp -34.46 -49.61 0.4 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.437 ' N ' ' HG3' ' A' ' 117' ' ' MET . . . 34.36 44.18 0.4 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.451 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 37.4 m -68.72 129.27 39.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.94 0.4 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.3 t -127.02 -62.63 1.1 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 172.95 124.65 0.79 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.71 -49.21 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.67 2.247 . . . . 0.0 112.292 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -173.29 179.56 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.1 t -144.64 175.44 10.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.817 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.942 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -63.82 -61.09 2.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.397 . . . . 0.0 110.828 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 p -85.84 -45.35 11.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.884 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.99 76.05 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -137.03 105.09 5.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.926 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -174.69 142.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.37 96.79 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.428 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -174.72 125.12 0.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.382 . . . . 0.0 110.853 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -174.11 150.36 1.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.8 mt -50.75 140.38 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 m -116.63 83.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.9 t30 -104.22 128.08 51.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.575 ' HB2' ' CD2' ' A' ' 19' ' ' TYR . 35.0 mt -110.69 -26.36 9.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -45.49 -41.44 9.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 16' ' ' TYR . 45.3 pt -49.19 -35.48 8.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.039 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 93' ' ' PRO . 44.3 m-85 -74.35 167.97 20.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -105.55 -30.31 9.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.41 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 10.0 p-90 -75.28 4.91 6.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.575 ' CD2' ' HB2' ' A' ' 13' ' ' LEU . 12.8 t80 -108.24 78.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.584 ' CE1' ' HA ' ' A' ' 116' ' ' LEU . 23.8 m-70 -77.45 90.33 3.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.804 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 19' ' ' TYR . 4.5 ptm180 -84.09 -39.08 19.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.421 ' N ' ' HG3' ' A' ' 21' ' ' ARG . 49.7 t-20 -83.51 59.41 5.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.508 HG21 ' HB3' ' A' ' 20' ' ' HIS . 8.1 pt -150.06 176.59 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.553 HG22 ' HG2' ' A' ' 27' ' ' GLN . 13.6 t -133.62 165.67 24.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 24' ' ' THR . 10.3 ttp-105 -33.66 -58.91 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -50.39 -62.57 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.553 ' HG2' HG22 ' A' ' 24' ' ' THR . 5.6 mm-40 -41.27 -53.59 3.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.38 -63.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -58.91 -59.57 5.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 31' ' ' LEU . 4.5 t60 -43.7 -65.67 0.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 30' ' ' HIS . 71.0 mt -34.73 -52.03 0.51 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 35' ' ' GLU . 80.3 mt -59.32 -51.35 70.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -39.38 -48.96 1.98 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -54.4 -39.09 66.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HG3' HG22 ' A' ' 114' ' ' VAL . 4.8 mm-40 -67.45 -47.73 69.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 57' ' ' PHE . 9.8 t 46.28 54.66 8.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.461 ' CD ' ' CD2' ' A' ' 112' ' ' TYR . 10.1 ptpt -155.23 123.39 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -45.71 121.55 3.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.813 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 127.42 -40.89 1.68 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.19 106.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.782 0.325 . . . . 0.0 111.096 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.63 ' O ' HG23 ' A' ' 42' ' ' ILE . 6.5 p90 -130.97 164.02 26.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.63 HG23 ' O ' ' A' ' 41' ' ' PHE . 7.8 pt -161.51 160.56 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.075 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.441 HG22 HG12 ' A' ' 54' ' ' ILE . 61.1 t -120.33 105.45 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.134 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.499 ' HB3' HD11 ' A' ' 23' ' ' ILE . 33.3 ptt85 -100.39 166.24 11.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -88.47 152.13 22.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' HIS . 28.4 m -89.36 85.01 6.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 46' ' ' SER . 6.0 mmm180 -35.89 -30.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.834 ' CE1' HD12 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -64.12 -63.97 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.834 HD12 ' CE1' ' A' ' 48' ' ' HIS . 12.6 mt -135.56 -174.86 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -75.04 49.0 2.12 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.4 t -108.61 -178.66 3.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.382 . . . . 0.0 110.816 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.41 ' CB ' HD12 ' A' ' 73' ' ' ILE . 59.7 m-85 -134.79 144.48 47.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.938 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.0 m -133.83 139.82 46.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.441 HG12 HG22 ' A' ' 43' ' ' VAL . 20.3 mt -107.24 143.37 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 m -125.4 100.36 6.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.8 t -95.22 136.21 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 36' ' ' SER . 50.3 t80 -85.19 94.24 8.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ALA . 4.8 mtt -65.42 -48.18 73.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.578 ' N ' ' HB3' ' A' ' 67' ' ' ALA . . . 90.48 140.79 8.68 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 65' ' ' GLU . . . -69.38 177.31 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.113 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 62' ' ' ARG . 12.4 mmt180 -81.51 94.95 6.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ARG . 15.8 mmt180 37.93 45.08 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.2 m -135.38 162.55 32.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 82.1 p -59.92 -24.1 64.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 60' ' ' ALA . 33.9 mt-10 -57.08 178.25 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.445 ' HB1' ' CE2' ' A' ' 57' ' ' PHE . . . -142.64 147.32 35.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.578 ' HB3' ' N ' ' A' ' 59' ' ' GLY . . . -125.2 123.45 39.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.6 mt -132.79 126.86 54.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -103.04 158.8 16.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.805 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -124.4 110.39 14.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.493 ' HB3' HG13 ' A' ' 83' ' ' VAL . 6.7 m-85 -104.29 116.66 32.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -84.43 120.08 25.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.951 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.41 HD12 ' CB ' ' A' ' 52' ' ' TYR . 80.2 mt -77.51 100.05 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.189 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -97.3 177.51 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -117.12 131.59 56.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.476 ' OD1' ' N ' ' A' ' 78' ' ' SER . 35.1 p30 -74.95 -174.97 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -67.48 -33.07 74.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.476 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 1.8 m -72.41 -10.04 59.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.407 ' N ' ' OD1' ' A' ' 76' ' ' ASN . . . 84.9 33.66 17.67 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.503 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 6.0 mm100 -117.75 158.96 23.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.773 0.32 . . . . 0.0 110.988 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -82.35 145.04 30.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -158.29 153.71 25.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.755 HG23 HD11 ' A' ' 95' ' ' LEU . 87.0 t -121.54 -51.73 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.408 ' CB ' ' HA3' ' A' ' 105' ' ' GLY . . . -84.06 15.61 3.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.05 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 44.72 28.5 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -133.35 -32.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -126.36 124.33 40.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.403 ' C ' ' CD1' ' A' ' 89' ' ' PHE . . . -111.71 168.84 9.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.095 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.58 ' CD2' ' HA ' ' A' ' 95' ' ' LEU . 28.3 m-85 -143.26 170.38 15.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.494 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . 37.5 mt-30 -94.96 -17.67 21.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -138.85 149.24 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.702 ' N ' ' HD2' ' A' ' 93' ' ' PRO . 11.7 mm -60.3 -47.95 95.26 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.702 ' HD2' ' N ' ' A' ' 92' ' ' ILE . 54.0 Cg_endo -69.76 0.53 5.52 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.644 2.229 . . . . 0.0 112.349 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 97' ' ' TRP . 16.7 mm-40 -97.91 -39.75 8.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.755 HD11 HG23 ' A' ' 83' ' ' VAL . 2.0 tt -57.73 -35.85 71.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.602 HG23 ' CD1' ' A' ' 110' ' ' LEU . 22.3 mm -85.81 -21.21 7.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.062 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.408 ' HB3' ' O ' ' A' ' 94' ' ' GLU . 20.5 t-105 -52.39 -52.38 53.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -85.31 -51.28 6.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.516 ' CD2' ' HB3' ' A' ' 104' ' ' ALA . 1.6 m80 -41.07 -38.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -39.8 -44.57 1.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -98.48 -37.65 9.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -89.03 127.05 35.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.731 ' HB2' ' HE ' ' A' ' 109' ' ' ARG . . . -78.84 45.43 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.062 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.516 ' HB3' ' CD2' ' A' ' 99' ' ' HIS . . . -34.07 115.63 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.408 ' HA3' ' CB ' ' A' ' 84' ' ' ALA . . . 76.8 -93.18 1.04 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -56.46 -175.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -101.62 -43.57 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 85.5 m -65.0 136.78 57.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.731 ' HE ' ' HB2' ' A' ' 103' ' ' ALA . 13.6 mtm180 -114.8 168.23 10.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.61 HD13 ' CE2' ' A' ' 41' ' ' PHE . 7.1 mt -88.19 113.38 23.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 80.7 mtt-85 -114.54 -49.8 2.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.461 ' CD2' ' CD ' ' A' ' 37' ' ' LYS . 9.7 m-85 -104.59 93.32 5.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.66 0.743 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 114' ' ' VAL . 54.3 Cg_endo -69.71 80.47 0.86 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.371 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.485 HG22 ' HG3' ' A' ' 35' ' ' GLU . 59.1 t -34.18 124.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.99 161.93 44.15 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.454 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.584 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 12.5 mt -62.85 -60.25 3.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.809 0.338 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.457 ' C ' ' O ' ' A' ' 116' ' ' LEU . 9.3 mmt -34.12 -63.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 48.52 -101.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.455 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.3 p -174.58 142.31 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.92 0.391 . . . . 0.0 110.83 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 t -174.98 152.91 1.56 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -152.65 83.41 0.16 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.548 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 119.12 6.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.771 2.314 . . . . 0.0 112.304 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -128.94 123.64 33.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.8 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.7 t -152.46 124.36 7.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.824 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.448 -179.995 . . . . . . . . 0 0 . 1 stop_ save_